SCHEMBL7345883

SCHEMBL7345883

O=C(Nc1ccc(C(=O)N2CCCSc3ncccc32)cc1)c1cccs1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
TP53 P04637 7/20 0.52
MAPT P10636 4/20 0.49
AVPR2 P30518 2/20 0.49
AVPR1A P37288 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 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
SCHEMBL7366451 0.82 AVPR1A (0.74) TP53AVPR2AVPR1A
SCHEMBL22650870 0.73 MEN1 (0.60) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL8561545 0.72 MEN1 (0.74) MEN1KMT2ATP53MAPTAVPR2
SCHEMBL8770282 0.67 MEN1 (0.85) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL8883555 0.67 AVPR1A (0.76) MAPTAVPR2AVPR1ASMN1; SMN2RAB9A
SCHEMBL7347384 0.66 AVPR1A (1.00) AVPR2AVPR1A
SCHEMBL11729204 0.66 MEN1 (0.80) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL6667286 0.66 ALDH1A1 (1.00) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL2047778 0.65 RAB9A (1.00) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL15154820 0.64 RAB9A (0.61) MEN1KMT2AMAPTSMN1; SMN2GAA

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-0811008-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-12-10 EP claimed
WO-1996022294-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO claimed