SCHEMBL7971072

SCHEMBL7971072

CCOS(=O)(=O)Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.58
CYP11B2 P19099 11/20 0.58
CYP19A1 P11511 1/20 0.54
FNTA P49354 6/20 0.49
FNTB P49356 6/20 0.49
PGGT1B P53609 5/20 0.49

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
SCHEMBL7936681 0.79 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL8801601 0.77 MAPT (0.50) CYP19A1
SCHEMBL7083825 0.76 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL8677989 0.75 CYP11B1 (0.70) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7505069 0.74 CYP11B1 (0.74) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7507201 0.74 CYP11B1 (0.74) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7480675 0.74 CYP11B1 (0.74) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL6925307 0.74 CYP11B1 (0.74) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL10588300 0.74 CYP11B1 (0.74) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL3630524 0.74 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed