SCHEMBL3713639

SCHEMBL3713639

Fc1cc(C(F)(F)F)ccc1-c1ccc(Br)cn1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 14/20 0.53
ALOX5AP P20292 14/20 0.53
MPL P40238 2/20 0.52
KDM1A O60341 1/20 0.45
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAOB P27338 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
SCHEMBL25261119 0.87 FEN1 (0.58) FEN1ALOX5APMPLKDM1ACYP11B1
SCHEMBL38614 0.80 FEN1 (0.47) FEN1ALOX5AP
SCHEMBL503341 0.78 ALOX5AP (0.43) FEN1ALOX5APKDM1ACYP11B1
SCHEMBL15862910 0.78 FEN1 (0.52) FEN1ALOX5APMPLKDM1ACYP11B1
SCHEMBL3717630 0.78 FEN1 (0.50) FEN1ALOX5APMPLKDM1ACYP11B1
SCHEMBL31356754 0.78 FEN1 (0.55) FEN1ALOX5APMPLKDM1A
SCHEMBL4943336 0.78 FEN1 (0.49) FEN1ALOX5APMPLKDM1A
SCHEMBL4608643 0.77 KDM1A (0.41) FEN1ALOX5APMPLKDM1AMAOB
SCHEMBL31063587 0.76 FEN1 (0.48) FEN1ALOX5APMPLKDM1A
SCHEMBL31562095 0.76 FEN1 (0.48) FEN1ALOX5APMPLKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010142741-A1 PHENYLPYRIDYLPYRIDONES FOR USE AS ANTIMALARIAL AGENTS GLAXO GROUP LIMITED (GB) 2010-12-16 WO disclosed
WO-2010142741-A1 PHENYLPYRIDYLPYRIDONES FOR USE AS ANTIMALARIAL AGENTS GLAXO GROUP LIMITED (GB) 2010-12-16 WO disclosed