SCHEMBL7744094

SCHEMBL7744094

N#Cc1ccc(CC(c2cnc[nH]2)n2ccc3c(Br)cccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.40
HRH3 Q9Y5N1 2/20 0.39
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CPA1 P15085 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
SCHEMBL7744230 0.85 CYP19A1 (0.42) CYP19A1HRH3CYP11B1CYP11B2CPA1
SCHEMBL7744246 0.84 CYP11B1 (0.40) CYP19A1HRH3CYP11B1CYP11B2CPA1
SCHEMBL7738163 0.83 CYP19A1 (0.45) CYP19A1HRH3CPA1
SCHEMBL8486902 0.80 HRH3 (0.39) CYP19A1HRH3CYP11B1CYP11B2
SCHEMBL7738290 0.75 CYP19A1 (0.38) CYP19A1HRH3CYP11B1CYP11B2
SCHEMBL7483881 0.73 FNTA (0.38) CYP19A1CPA1
SCHEMBL7743443 0.73 CYP19A1 (0.45) CYP19A1HRH3CPA1
Hydrochloric Acid SCHEMBL7748868 0.72 FNTA (0.38) CYP19A1CPA1
SCHEMBL7134263 0.71 HRH3 (0.46) CYP19A1HRH3
Hydrochloric Acid SCHEMBL7484921 0.70 HRH3 (0.45) CYP19A1HRH3

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