SCHEMBL8034890

SCHEMBL8034890

CS(=O)(=O)CCC1CN(c2cccc(I)c2)C(=O)CN1C(Cc1ccc(C#N)cc1)c1cnc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.47
FNTB P49356 15/20 0.47
PGGT1B P53609 4/20 0.34
NRAS P01111 1/20 0.34
HRAS P01112 1/20 0.34
CYP19A1 P11511 2/20 0.33
NR1H4 Q96RI1 1/20 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
SCHEMBL8154511 1.00 FNTA (0.47) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL8147142 0.99 FNTA (0.46) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3501299 0.92 FNTA (0.56) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3685883 0.92 FNTA (0.56) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3684995 0.92 FNTA (0.56) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL9082057 0.91 FNTA (0.55) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL8155159 0.89 FNTA (0.39) FNTAFNTBCYP19A1
Hydrochloric Acid SCHEMBL8141557 0.89 FNTA (0.39) FNTAFNTBCYP19A1
SCHEMBL8006493 0.86 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3500218 0.86 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS

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
WO-2000070083-A1 ASSAY FOR MYELOSUPPRESSION BY FARNESYL TRANSFERASE INHIBITORS MERCK & CO., INC. (US) 2000-11-23 WO disclosed