SCHEMBL8620749

SCHEMBL8620749

CS(=O)(=O)CC[C@@H](CNCc1cccc(Cl)c1)NCc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.51
FNTB P49356 16/20 0.51
PGGT1B P53609 4/20 0.51
KCNH2 Q12809 3/20 0.51
CYP3A4 P08684 1/20 0.51
NRAS P01111 1/20 0.46
HRAS P01112 1/20 0.46

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
SCHEMBL8080364 0.80 FNTA (0.45) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL8392309 0.80 FNTA (0.44) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8620754 0.75 CYP19A1 (0.38) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8624384 0.73 KCNH2 (0.58) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8387872 0.73 FNTA (0.49) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8387871 0.73 FNTA (0.49) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8626473 0.73 FNTA (0.47) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7824900 0.73 KCNH2 (0.57) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL3684991 0.72 FNTA (0.82) FNTAFNTBPGGT1BKCNH2NRAS
SCHEMBL3501295 0.72 FNTA (0.82) FNTAFNTBPGGT1BKCNH2NRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780492-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1998-07-14 US disclosed