SCHEMBL8303614

SCHEMBL8303614

N#Cc1ccc(Cc2cnc(Cc3ccc(-c4ccccc4)c[n+]3[O-])[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 8/20 0.52
HRH3 Q9Y5N1 1/20 0.38
EP300 Q09472 1/20 0.36
AOC3 Q16853 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
CYP19A1 P11511 2/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
HPGDS O60760 1/20 0.33
CAPN1 P07384 1/20 0.33

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 SCHEMBL8306913 0.99 BRS3 (0.51) BRS3HRH3EP300AOC3CYP11B1
SCHEMBL7919393 0.85 BRS3 (0.62) BRS3HRH3EP300AOC3CYP11B1
Hydrochloric Acid SCHEMBL8521500 0.84 BRS3 (0.61) BRS3HRH3EP300AOC3CYP11B1
SCHEMBL8193745 0.82 BRS3 (0.50) BRS3HRH3EP300AOC3CYP11B1
Hydrochloric Acid SCHEMBL8308875 0.81 BRS3 (0.49) BRS3HRH3EP300AOC3CYP11B1
SCHEMBL7924356 0.81 BRS3 (0.72) BRS3HRH3
Hydrochloric Acid SCHEMBL8309282 0.80 BRS3 (0.71) BRS3HRH3
SCHEMBL8308371 0.79 BRS3 (0.56) BRS3HRH3EP300AOC3CYP11B1
Hydrochloric Acid SCHEMBL8304730 0.78 BRS3 (0.55) BRS3HRH3EP300AOC3CYP11B1
Trifluoroacetic Acid SCHEMBL8309330 0.77 BRS3 (0.61) BRS3EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891361-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP claimed
WO-1997036901-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO claimed
EP-0891361-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036901-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed