SCHEMBL7936802

SCHEMBL7936802

N#Cc1ccc(Cn2cncc2C(=O)N(Cc2cccc(Cl)c2)C2CCNC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.52
FNTB P49356 16/20 0.52
KCNH2 Q12809 4/20 0.48
PGGT1B P53609 7/20 0.48
CYP3A4 P08684 1/20 0.48
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
NRAS P01111 1/20 0.43
HRAS P01112 1/20 0.43

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
SCHEMBL7936806 1.00 FNTA (0.52) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7936730 0.78 FNTA (0.56) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7939496 0.74 PSEN1 (0.42) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7939493 0.74 PSEN1 (0.42) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7927454 0.73 FNTA (0.55) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7939518 0.73 FNTA (0.55) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7927450 0.73 FNTA (0.55) FNTAFNTBKCNH2PGGT1BCYP3A4
SCHEMBL7937359 0.72 FNTA (0.51) FNTAFNTBKCNH2PGGT1BCYP3A4
Hydrochloric Acid SCHEMBL7935975 0.72 FNTA (0.52) FNTAFNTBKCNH2PGGT1BCYP11B1
Hydrochloric Acid SCHEMBL7935977 0.72 FNTA (0.52) FNTAFNTBKCNH2PGGT1BCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed