SCHEMBL7743701

SCHEMBL7743701

N#Cc1ccc(Cn2cncc2Cc2n[nH]c3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.55
CYP11B2 P19099 7/20 0.55
CYP19A1 P11511 1/20 0.48
FNTA P49354 3/20 0.48
FNTB P49356 3/20 0.48
PGGT1B P53609 1/20 0.48

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 SCHEMBL8483628 0.99 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7738201 0.87 FNTA (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL694505 0.80 PARP1 (0.45)
SCHEMBL7744195 0.76 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL5891899 0.76 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL8484200 0.75 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL8677989 0.75 CYP11B1 (0.70) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL8188315 0.75 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL8482559 0.74 CYP11B1 (0.53) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL7744119 0.74 CYP11B1 (0.52) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP claimed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP claimed
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US claimed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO claimed
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US disclosed