SCHEMBL6410255

SCHEMBL6410255

N#Cc1ccc(Cn2cncc2C(=O)O)cc1F.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.47
CYP11B1 P15538 7/20 0.47
CACNA1H O95180 10/20 0.42
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
PDPK1 O15530 1/20 0.39

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
SCHEMBL7166994 0.87 CYP11B2 (0.46) CYP11B2CYP11B1CACNA1HFNTAFNTB
SCHEMBL6452310 0.82 CYP11B1 (0.46) CYP11B2CYP11B1CACNA1HFNTAFNTB
Bromide SCHEMBL7629321 0.81 CYP11B1 (0.45) CYP11B2CYP11B1CACNA1HFNTAFNTB
SCHEMBL7704754 0.81 CYP11B1 (0.45) CYP11B2CYP11B1CACNA1HFNTAFNTB
SCHEMBL7971164 0.81 CYP11B1 (0.52) CYP11B2CYP11B1CACNA1H
SCHEMBL7818410 0.80 CYP11B1 (0.70) CYP11B2CYP11B1FNTAFNTB
SCHEMBL7709344 0.80 CYP11B1 (0.51) CYP11B2CYP11B1CACNA1H
SCHEMBL6433915 0.79 CYP11B1 (0.64) CYP11B2CYP11B1CACNA1H
SCHEMBL4724498 0.79 CYP11B1 (0.43) CYP11B2CYP11B1CACNA1H
SCHEMBL6708657 0.78 CYP11B1 (0.72) CYP11B2CYP11B1FNTAFNTB

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-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
US-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed