SCHEMBL8306873

SCHEMBL8306873

Cc1ccc(-c2ccccc2)c(N)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
DHFR P00374 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42

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
SCHEMBL27660656 0.80 MEN1 (0.45) ALDH1A1KDM4EHPGDADORA2AADORA1
SCHEMBL10262765 0.78 PSMB5 (0.47) ALDH1A1HSD17B10KDM4EHPGDADORA2A
SCHEMBL2174430 0.78 FGFR1 (0.49) ALDH1A1HSD17B10KDM4EADORA2AADORA1
SCHEMBL5360517 0.77 SYK (0.45) ALDH1A1KDM4EHPGDADORA1KMT2A
SCHEMBL24156309 0.76 MEN1 (0.47) ALDH1A1HSD17B10ADORA1KMT2AMEN1
SCHEMBL29972990 0.75 KDM4E (0.45) ALDH1A1HSD17B10KDM4EHPGDADORA2A
SCHEMBL8305228 0.75 DHODH (0.54) ALDH1A1KDM4EADORA1KMT2AMEN1
SCHEMBL3180674 0.75 FGFR1 (0.46) ALDH1A1HSD17B10KDM4EHPGDADORA2A
SCHEMBL1901873 0.75 KDM4E (0.45) ALDH1A1HSD17B10KDM4EHPGDADORA2A
SCHEMBL610009 0.75 PIN1 (0.49) ALDH1A1HSD17B10KDM4EMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872136-A Arylheteroaryl inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-02-16 US disclosed
EP-0891361-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036901-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed