SCHEMBL7578693

SCHEMBL7578693

Cc1ccccc1C(=S)Nc1ncccc1C(=O)Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
KMT2A Q03164 2/20 0.51
RAB9A P51151 8/20 0.49
NPC1 O15118 5/20 0.49
KDM4E B2RXH2 5/20 0.49
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TYK2 P29597 1/20 0.41
PKM P14618 1/20 0.41
CACNA1B Q00975 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
SCHEMBL7493834 0.86 KMT2A (0.65) L3MBTL1KMT2ARAB9ANPC1KDM4E
SCHEMBL8797276 0.74 KMT2A (0.50) L3MBTL1KMT2ARAB9ANPC1KDM4E
SCHEMBL28572242 0.73 NPSR1 (0.60) L3MBTL1KMT2ARAB9ANPC1KDM4E
SCHEMBL5232736 0.73 RAB9A (0.53) KMT2ARAB9ANPC1KDM4EMAPT
SCHEMBL8800517 0.72 KMT2A (0.67) L3MBTL1KMT2ARAB9ANPC1KDM4E
SCHEMBL7501376 0.71 KMT2A (0.63) L3MBTL1KMT2ARAB9ANPC1MAPT
SCHEMBL7572668 0.71 KMT2A (0.50) L3MBTL1KMT2ARAB9ANPC1KDM4E
SCHEMBL29677294 0.71 ALDH1A1 (0.54) KMT2AKDM4EHTTPOLBALDH1A1
SCHEMBL93382 0.71 ALDH1A1 (0.54) KMT2AKDM4EHTTPOLBALDH1A1
SCHEMBL16674460 0.70 KMT2A (0.63) L3MBTL1KMT2ARAB9ANPC1KDM4E

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-0915876-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1999-05-19 EP disclosed
WO-1997049707-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-31 WO disclosed