SCHEMBL7146705

SCHEMBL7146705

COCCOc1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1-c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 7/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 3/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 2/20 0.36
MAPK1 P28482 2/20 0.36
GLA P06280 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL7141097 0.88 RAB9A (0.46) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL6165508 0.88 MEN1 (0.38) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL7138538 0.86 RAB9A (0.41) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL7146551 0.86 ABCB1 (0.39) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL7143635 0.85 MEN1 (0.45) KDM4ERAB9AMEN1KMT2AALDH1A1
SCHEMBL7144215 0.85 KDM4E (0.44) KDM4EHPGDKMT2AALDH1A1HTT
SCHEMBL5557485 0.81 RAB9A (0.42) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL5563828 0.81 HTT (0.40) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL7141800 0.80 NPC1 (0.41) KDM4ERAB9AKMT2AALDH1A1MAPT
SCHEMBL5562862 0.80 RAB9A (0.41) RAB9AMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224174-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
EP-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
US-6407094-B1 4-5-DIDEHYDRO-1,5-BENZODIAZEPIN-2-ONE DERIVATIVES; PSYCHOLOGICAL, NERVOUS SYSTEM, AND BRAIN DISORDERS; COGNITION ACTIVATORS; ALZHEIMER*S DISEASE, SCHIZOPHRENIA HOFFMANN-LA ROCHE INC. 2002-06-18 US disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed