SCHEMBL8110596

SCHEMBL8110596

N#Cc1ccc(Cc2cnc(Cc3ccc(-c4ccc(Cl)cc4Cl)cc3)[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 8/20 0.52
GSK3B P49841 2/20 0.40
CNR1 P21554 7/20 0.40
CNR2 P34972 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NSD2 O96028 1/20 0.39
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3A P49840 1/20 0.37
LIMK1 P53667 1/20 0.37
TAOK1 Q7L7X3 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
SLK Q9H2G2 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
CSNK1G1 Q9HCP0 1/20 0.37

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
SCHEMBL8107149 0.91 BRS3 (0.52) BRS3GSK3BHRH3
Hydrochloric Acid SCHEMBL8307923 0.90 BRS3 (0.51) BRS3GSK3BHRH3
SCHEMBL8097344 0.89 BRS3 (0.50) BRS3CNR1HRH3NSD2
Hydrochloric Acid SCHEMBL8310064 0.88 BRS3 (0.49) BRS3CNR1HRH3NSD2
SCHEMBL7919373 0.88 BRS3 (0.56) BRS3HRH3NSD2
SCHEMBL8105207 0.87 BRS3 (0.53) BRS3CNR1HRH3
Bromide SCHEMBL8310757 0.87 BRS3 (0.55) BRS3HRH3NSD2
SCHEMBL7927590 0.86 BRS3 (0.61) BRS3HRH3
SCHEMBL8097365 0.83 BRS3 (0.50) BRS3HRH3
Hydrochloric Acid SCHEMBL8305721 0.82 BRS3 (0.49) BRS3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986302-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-03-22 EP claimed
EP-0891333-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP claimed
WO-1998054966-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-12-10 WO claimed
WO-1997036875-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO claimed
EP-0986302-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-03-22 EP disclosed
WO-1998054966-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-12-10 WO disclosed