SCHEMBL7744210

SCHEMBL7744210

N#Cc1ccc(Cn2cncc2Cc2nc3cccnc3[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.52
CYP11B2 P19099 9/20 0.52
FNTA P49354 4/20 0.47
FNTB P49356 4/20 0.47
KCNH2 Q12809 3/20 0.47
CYP19A1 P11511 1/20 0.46
PGGT1B P53609 1/20 0.45

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 SCHEMBL7744166 0.99 CYP11B1 (0.51) CYP11B1CYP11B2FNTAFNTBKCNH2
SCHEMBL7744195 0.84 CYP11B1 (0.55) CYP11B1CYP11B2FNTAFNTBCYP19A1
SCHEMBL8479191 0.84 CYP11B1 (0.52) CYP11B1CYP11B2FNTAFNTBKCNH2
Hydrochloric Acid SCHEMBL8484200 0.83 CYP11B1 (0.54) CYP11B1CYP11B2FNTAFNTBCYP19A1
SCHEMBL8483629 0.83 CYP11B1 (0.54) CYP11B1CYP11B2FNTAFNTBKCNH2
SCHEMBL8483632 0.83 CYP11B1 (0.54) CYP11B1CYP11B2FNTAFNTBKCNH2
Hydrochloric Acid SCHEMBL7744160 0.83 CYP11B1 (0.51) CYP11B1CYP11B2FNTAFNTBKCNH2
Hydrochloric Acid SCHEMBL8480811 0.82 CYP11B1 (0.53) CYP11B1CYP11B2FNTAFNTBKCNH2
Hydrochloric Acid SCHEMBL8480807 0.82 CYP11B1 (0.53) CYP11B1CYP11B2FNTAFNTBKCNH2
SCHEMBL8483514 0.82 CYP11B1 (0.52) CYP11B1CYP11B2FNTAFNTBKCNH2

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 8 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
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