SCHEMBL8009897

SCHEMBL8009897

N#Cc1ccc(Cc2cncn2Cc2ccc(-n3cc(Cl)ccc3=O)nc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.49
CYP11B2 P19099 7/20 0.49
FNTA P49354 8/20 0.46
FNTB P49356 8/20 0.46
PGGT1B P53609 3/20 0.46
NRAS P01111 1/20 0.43
HRAS P01112 1/20 0.43
CYP19A1 P11511 1/20 0.43

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
SCHEMBL8151756 0.97 CYP11B1 (0.50) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8657909 0.93 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8157269 0.90 CYP11B1 (0.39) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8143443 0.89 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8157261 0.88 FNTA (0.39) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL3499503 0.86 CYP11B1 (0.36) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8155427 0.86 FNTA (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL5891930 0.86 SMO (0.36) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8151571 0.85 CYP11B1 (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6316290 0.84 CYP11B1 (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B

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-2000025789-A1 A METHOD OF TREATING ENDOMETRIOSIS MERCK & CO., INC. (US) 2000-05-11 WO disclosed