SCHEMBL8107098

SCHEMBL8107098

N#Cc1ccc(Cc2cnc(Cc3ccc(-c4ccccc4C(F)(F)F)cc3Cl)[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 10/20 0.49
AR P10275 2/20 0.39
USP1 O94782 2/20 0.38
WDR48 Q8TAF3 2/20 0.38
FAAH O00519 2/20 0.35
TRPA1 O75762 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL8107148 0.90 BRS3 (0.49) BRS3ARUSP1WDR48TRPA1
Hydrochloric Acid SCHEMBL8661074 0.89 BRS3 (0.49) BRS3ARUSP1WDR48TRPA1
SCHEMBL7919370 0.88 BRS3 (0.58) BRS3ARUSP1WDR48
Hydrochloric Acid SCHEMBL8310488 0.86 BRS3 (0.57) BRS3ARUSP1WDR48
SCHEMBL7927535 0.85 BRS3 (0.52) BRS3CYP11B1CYP11B2
SCHEMBL8105183 0.84 BRS3 (0.67) BRS3
SCHEMBL8105181 0.82 BRS3 (0.60) BRS3USP1WDR48
SCHEMBL8107106 0.79 BRS3 (0.51) BRS3USP1WDR48CYP11B1CYP11B2
SCHEMBL7927590 0.78 BRS3 (0.61) BRS3
SCHEMBL8110764 0.78 BRS3 (0.58) BRS3

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-0891333-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036875-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed