SCHEMBL7541527

SCHEMBL7541527

CCCCN(C(=O)c1ccc(O)cc1)c1cccc(SCC(=O)CC(=S)Nc2ccc(OC)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
PABPC1 P11940 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ALDH1A1 P00352 2/20 0.40
ADRB2 P07550 1/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.36
OXTR P30559 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL7541530 0.75 LMNA (0.44) LMNAPABPC1NPSR1MEN1KMT2A
SCHEMBL6841468 0.72 LMNA (0.46) LMNAPABPC1NPSR1MEN1KMT2A
SCHEMBL8959907 0.65 ALDH1A1 (0.64) LMNANPSR1MEN1KMT2AALDH1A1
SCHEMBL6277240 0.64 OXTR (0.57) MEN1KMT2AOXTRCASP3SENP8
SCHEMBL27954455 0.61 KMT2A (0.69) LMNAPABPC1MEN1KMT2AKEAP1
SCHEMBL13263619 0.61 MEN1 (0.68) LMNAPABPC1NPSR1MEN1KMT2A
SCHEMBL13298957 0.59 MEN1 (0.64) LMNAPABPC1NPSR1MEN1KMT2A
SCHEMBL27954440 0.59 MAPT (0.70) LMNAPABPC1MEN1KMT2AKEAP1
SCHEMBL5687286 0.58 MAPT (0.43) LMNAPABPC1MEN1KMT2AALDH1A1
SCHEMBL19002813 0.58 MEN1 (0.71) LMNAPABPC1NPSR1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO disclosed