SCHEMBL7811238

SCHEMBL7811238

CC#CCC(CNc1cccc(Cl)c1)NC(Cc1ccc(C#N)cc1)c1cnc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
CYP19A1 P11511 4/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR2 P34972 3/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
MAPT P10636 1/20 0.31
CNR1 P21554 2/20 0.31

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
SCHEMBL8304606 0.80 FNTA (0.40) FNTAFNTBCYP19A1NPC1TP53
Hydrochloric Acid SCHEMBL8387447 0.79 FNTA (0.39) FNTAFNTBCYP19A1NPC1TP53
SCHEMBL8619070 0.76 HRH3 (0.44) CYP19A1NPC1TP53RAB9AKMT2A
Hydrochloric Acid SCHEMBL8690838 0.75 HRH3 (0.43) CYP19A1NPC1TP53RAB9AKMT2A
SCHEMBL8620754 0.73 CYP19A1 (0.38) FNTAFNTBCYP19A1CNR2CNR1
SCHEMBL8626473 0.73 FNTA (0.47) FNTAFNTB
SCHEMBL8505582 0.70 NPC1 (0.39) FNTAFNTBCYP19A1NPC1TP53
Hydrochloric Acid SCHEMBL8504372 0.70 NPC1 (0.39) FNTAFNTBCYP19A1NPC1TP53
SCHEMBL8392034 0.69 CYP19A1 (0.38) FNTAFNTBCYP19A1TP53SMN1; SMN2
Hydrochloric Acid SCHEMBL8133317 0.69 KMT2A (0.47) FNTAFNTBNPC1TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891353-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-08 EP disclosed
EP-0891353-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
US-5780492-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1998-07-14 US disclosed
WO-1997036892-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed