SCHEMBL8155159

SCHEMBL8155159

CS(=O)(=O)CC[C@H]1CN(c2cc(I)cc(CF)c2)C(=O)CN1C(Cc1ccc(C#N)cc1)c1cnc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.39
FNTB P49356 7/20 0.39
CYP19A1 P11511 1/20 0.32

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
Hydrochloric Acid SCHEMBL8141557 0.99 FNTA (0.39) FNTAFNTBCYP19A1
SCHEMBL8034890 0.89 FNTA (0.47) FNTAFNTBCYP19A1
SCHEMBL8154511 0.89 FNTA (0.47) FNTAFNTBCYP19A1
Hydrochloric Acid SCHEMBL8147142 0.89 FNTA (0.46) FNTAFNTBCYP19A1
SCHEMBL8147164 0.88 FNTA (0.38) FNTAFNTB
SCHEMBL3501299 0.84 FNTA (0.56) FNTAFNTB
SCHEMBL3685883 0.84 FNTA (0.56) FNTAFNTB
SCHEMBL3684995 0.84 FNTA (0.56) FNTAFNTB
Hydrochloric Acid SCHEMBL9082057 0.84 FNTA (0.55) FNTAFNTB
SCHEMBL3500218 0.79 FNTA (0.53) FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6060038-A Radiolabeled farnesyl-protein transferase inhibitors MERCK & CO., INC. (US) 2000-05-09 US disclosed
EP-0981728-A2 RADIOLABELED FARNESYL-PROTEIN TRANSFERASE INHIBITORS Merck & Co., Inc. (US) 2000-03-01 EP disclosed
WO-1999000654-A2 RADIOLABELED FARNESYL-PROTEIN TRANSFERASE INHIBITORS MERCK & CO., INC. (US) 1999-01-07 WO disclosed