SCHEMBL8797276

SCHEMBL8797276

Cc1ccc(F)cc1C(=O)Nc1ncccc1C(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
LMNA P02545 3/20 0.47
ESR1 P03372 1/20 0.47
AVPR2 P30518 1/20 0.46
OXTR P30559 1/20 0.46
AVPR1A P37288 1/20 0.46
USP2 O75604 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
BRAF P15056 1/20 0.44
SORT1 Q99523 1/20 0.44
SGMS2 Q8NHU3 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL7572668 0.90 KMT2A (0.50) KMT2AL3MBTL1LMNAESR1USP2
SCHEMBL8798493 0.86 USP2 (0.52) KMT2AL3MBTL1USP2NPC1RAB9A
SCHEMBL8801750 0.85 USP2 (0.47) KMT2AL3MBTL1LMNAAVPR2USP2
SCHEMBL7493834 0.84 KMT2A (0.65) KMT2AL3MBTL1NPC1RAB9ASORT1
SCHEMBL7505880 0.81 SGMS2 (0.45) KMT2AL3MBTL1LMNAESR1NPC1
SCHEMBL7502174 0.80 L3MBTL1 (0.49) KMT2AL3MBTL1USP2NPC1RAB9A
SCHEMBL8815552 0.76 NPC1 (0.57) KMT2AL3MBTL1LMNANPC1RAB9A
SCHEMBL8797556 0.76 CYP11B2 (0.58) KMT2AL3MBTL1LMNAUSP2NPC1
SCHEMBL8798613 0.76 DHODH (0.54) KMT2ALMNAUSP2RAB9ASORT1
SCHEMBL7501376 0.75 KMT2A (0.63) KMT2AL3MBTL1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811008-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-12-10 EP disclosed