SCHEMBL8088397

SCHEMBL8088397

CC(Cc1ccc(C#N)cc1)(NC(=O)[C@H]1CCCN(C(=O)N(c2ccccc2)c2ccccc2)C1)c1cnc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
GFER P55789 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
ALOX12 P18054 1/20 0.36
AGTR2 P50052 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ERG P11308 1/20 0.35
FNTA P49354 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
SCHEMBL8103721 0.88 ITGB3 (0.39) GAAKMT2AGPBAR1ERG
SCHEMBL8104346 0.87 HPGD (0.43) GAAALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL8095919 0.87 ALOX12 (0.40) KMT2AALOX12GPBAR1L3MBTL1ERG
SCHEMBL8097933 0.86 GPBAR1 (0.42) GAACYP3A4GPBAR1ERG
SCHEMBL8095399 0.85 CYP3A4 (0.44) ALDH1A1RAB9ANPC1CYP3A4CYP2D6
SCHEMBL8088811 0.85 GPR119 (0.44) ALDH1A1KMT2AMEN1GPBAR1L3MBTL1
SCHEMBL8097919 0.84 ALOX12 (0.42) GAAALOX12GPBAR1L3MBTL1ERG
SCHEMBL8101513 0.84 L3MBTL1 (0.46) GAAALDH1A1GFERSMN1; SMN2ATM
SCHEMBL8098228 0.84 ALOX12 (0.41) GAAGFERSMN1; SMN2ALOX12GPBAR1
SCHEMBL8097934 0.83 KMT2A (0.46) ALDH1A1CYP2D6HPGDKMT2AALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP claimed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP claimed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO claimed
US-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 US disclosed
EP-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP disclosed
US-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US disclosed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP disclosed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO disclosed