SCHEMBL454293

SCHEMBL454293

COC(=O)C(C)Nc1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.58
RAB9A P51151 8/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 7/20 0.49
CASP3 P42574 3/20 0.49
SENP7 Q9BQF6 3/20 0.49
NQO2 P16083 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
CYP26A1 O43174 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL454294 1.00 RECQL (0.58) RECQLRAB9ASMN1; SMN2GAANPC1
Hydrochloric Acid SCHEMBL8601533 0.98 RECQL (0.57) RECQLRAB9ASMN1; SMN2GAANPC1
SCHEMBL4411802 0.86 RAB9A (0.51) RECQLRAB9ASMN1; SMN2GAANPC1
SCHEMBL4411805 0.86 RAB9A (0.51) RECQLRAB9ASMN1; SMN2GAANPC1
SCHEMBL14108653 0.85 RAB9A (0.50) RECQLRAB9ASMN1; SMN2GAANPC1
SCHEMBL4415518 0.85 SMN1; SMN2 (0.54) RECQLRAB9ASMN1; SMN2GAANPC1
SCHEMBL4415514 0.85 SMN1; SMN2 (0.54) RECQLRAB9ASMN1; SMN2GAANPC1
SCHEMBL7383305 0.85 RECQL (0.46) RECQLRAB9ASMN1; SMN2GAANPC1
SCHEMBL7383308 0.85 RECQL (0.46) RECQLRAB9ASMN1; SMN2GAANPC1
SCHEMBL28581262 0.84 RECQL (0.47) RECQLRAB9ASMN1; SMN2GAACYP26A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104861046-A N-methyl cyclic pentapeptide compound and synthesis method and application thereof UNIV HEBEI SCIENCE & TECH 2015-08-26 CN claimed
EP-2616169-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS Natrix Separations Inc. (CA) 2013-07-24 EP claimed
WO-2012037101-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS NATRIX SEPARATIONS INC. (CA) 2012-03-22 WO claimed
US-20120064601-A1 Chromatography Membranes for the Purification of Chiral Compounds NATRIX SEPARATIONS INC. (CA) 2012-03-15 US claimed
US-6399628-B1 ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2002-06-04 US claimed
JP-2001508408-A 2001-06-26 JP claimed
US-5965614-A A PEPTIDE BLOCKING AGENT FOR TREATING ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 1999-10-12 US claimed
EP-0944580-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-29 EP claimed
WO-1998022441-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed
CN-113121648-B N-methyl cyclic pentapeptide compound and synthesis method and application thereof 河北科技大学 2022-07-01 CN disclosed
CN-113121648-A N-methyl cyclic pentapeptide compound and synthesis method and application thereof 河北科技大学 2021-07-16 CN disclosed
CN-104861046-A N-methyl cyclic pentapeptide compound and synthesis method and application thereof UNIV HEBEI SCIENCE & TECH 2015-08-26 CN disclosed
EP-2616169-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS Natrix Separations Inc. (CA) 2013-07-24 EP disclosed
WO-2012037101-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS NATRIX SEPARATIONS INC. (CA) 2012-03-22 WO disclosed
EP-0951466-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-10-27 EP disclosed
US-5965614-A A PEPTIDE BLOCKING AGENT FOR TREATING ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 1999-10-12 US disclosed
EP-0944580-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-29 EP disclosed
WO-1998038177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING β-AMYLOID PEPTIDE ELAN PHARMACEUTICALS, INC. (US) 1998-09-03 WO disclosed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO disclosed
WO-1998022441-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed