SCHEMBL9563131

SCHEMBL9563131

O=C(c1ccncc1)N1CCN(C2c3ccc(Cl)cc3SCc3cccnc32)CC1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.78
FNTB P49356 16/20 0.78
HRAS P01112 1/20 0.56
KRAS P01116 1/20 0.56

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
SCHEMBL7000549 0.88 FNTA (1.00) FNTAFNTBHRASKRAS
SCHEMBL7002993 0.85 FNTA (0.78) FNTAFNTBHRASKRAS
SCHEMBL8877108 0.85 FNTA (0.80) FNTAFNTBHRASKRAS
SCHEMBL9207014 0.83 FNTA (0.75) FNTAFNTBHRASKRAS
SCHEMBL9563101 0.82 FNTA (0.60) FNTAFNTBHRASKRAS
SCHEMBL7001590 0.81 FNTA (1.00) FNTAFNTB
SCHEMBL6990429 0.80 FNTA (0.70) FNTAFNTBHRASKRAS
SCHEMBL7000838 0.80 FNTA (1.00) FNTAFNTB
SCHEMBL7002444 0.80 FNTA (1.00) FNTAFNTB
SCHEMBL6996229 0.80 FNTA (0.74) FNTAFNTBHRASKRAS

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
EP-0524784-A1 Benzopyrido piperidylidene compounds as PAF antagonists SCHERING CORPORATION (US) 1993-01-27 EP disclosed