SCHEMBL8413422

SCHEMBL8413422

N#Cc1ccc(Cc2ncc(CCNC(=O)CSc3ccccc3)[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 3/20 0.43
POLB P06746 3/20 0.43
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
PKM P14618 2/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7921304 0.79 BRS3 (0.52) BRS3HPGDABCB1ABCG2KMT2A
SCHEMBL7841490 0.74 CHRM4 (0.54) BRS3KDM4E
Hydrochloric Acid SCHEMBL8368581 0.74 BRS3 (0.52) BRS3HTT
SCHEMBL8257977 0.74 CYP11B1 (0.56)
SCHEMBL7842828 0.74 BRS3 (0.54) BRS3HTT
Hydrochloric Acid SCHEMBL7845666 0.73 CHRM4 (0.53) BRS3KDM4E
SCHEMBL7919393 0.71 BRS3 (0.62) BRS3
SCHEMBL7459728 0.71 FNTA (0.42) BRS3CYP3A4
SCHEMBL7129739 0.71 BRS3 (0.52) BRS3SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL7452346 0.71 FNTA (0.42) BRS3CYP3A4

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-0935464-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-08-18 EP disclosed
WO-1997036584-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed