SCHEMBL7933804

SCHEMBL7933804

CC(C(=O)O)c1cncn1Cc1ccc(C#N)cc1.N#Cc1ccc(Cn2cncc2CC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.58
CYP11B2 P19099 10/20 0.58
CYP19A1 P11511 1/20 0.50
FNTA P49354 6/20 0.47
FNTB P49356 6/20 0.47
PGGT1B P53609 3/20 0.47

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
SCHEMBL8388778 0.91 CYP11B1 (0.59) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL8388781 0.91 CYP11B1 (0.59) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL2786255 0.89 CYP11B1 (0.71) CYP11B1CYP11B2CYP19A1FNTAFNTB
Bromide SCHEMBL7927507 0.88 CYP11B1 (0.69) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL8481395 0.88 CYP11B1 (0.69) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL7842775 0.86 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7086608 0.80 CYP11B1 (0.79) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7478451 0.78 CYP11B1 (0.69) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7512747 0.78 CYP11B1 (0.63) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL7802265 0.77 CYP11B1 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed