SCHEMBL7464878

SCHEMBL7464878

Cc1ncc(C=O)n1Cc1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.56
CYP11B2 P19099 4/20 0.56
CYP19A1 P11511 2/20 0.46
FNTA P49354 3/20 0.44
FNTB P49356 3/20 0.44
PGGT1B P53609 3/20 0.44
AR P10275 3/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.41
DCTPP1 Q9H773 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
PDE1A P54750 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 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
SCHEMBL2361081 0.84 CYP3A4 (0.46) ALDH1A1GAA
SCHEMBL7653499 0.81 GALR3 (0.44) CYP11B1CYP11B2CYP19A1ALDH1A1GAA
SCHEMBL6104023 0.81 ALDH1A1 (0.54) ALDH1A1GAA
SCHEMBL6410513 0.80 CACNA1H (0.39) CYP11B1CYP11B2
SCHEMBL7593487 0.80 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL7844423 0.78 AR (0.50) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL7841131 0.76 FNTA (0.50) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7973895 0.76 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL13467083 0.73 PTGER4 (0.36) ALDH1A1GAA
SCHEMBL7652308 0.73 DCTPP1 (0.44) CYP11B1CYP11B2CYP19A1ARPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
US-6358956-B1 IMIDAZOLYLALKYL-1-PIPERAZINE DERIVATIVES; FARNESYL-PROTEIN AND GERANYLGERANYL TRANSFERASE INHIBITORS; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-03-19 US disclosed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
US-6335343-B1 IMIDAZOL-5-YLALKYLPIPERIZINE DERIVATIVES; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-01-01 US disclosed
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
WO-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed
EP-0891350-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-01-17 EP disclosed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed
WO-2000016778-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-03-30 WO disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed
EP-0891350-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
US-5856326-A ANTITUMOR, ANTICANCER AGENTS MERCK & CO., INC. (US) 1999-01-05 US disclosed
EP-0820445-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-28 EP disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed
WO-1997036889-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1996030343-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed