SCHEMBL21089481

SCHEMBL21089481

CC(C)(C)N[S+]([O-])c1ccccc1-c1ccc(-c2cnc(N)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.56
FEN1 P39748 19/20 0.56

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
SCHEMBL21089048 0.86 FEN1 (0.63) ALOX5APFEN1
SCHEMBL20627522 0.86 FEN1 (0.61) ALOX5APFEN1
SCHEMBL21089477 0.82 ALOX5AP (0.55) ALOX5APFEN1
SCHEMBL21089205 0.81 ALOX5AP (0.56) ALOX5APFEN1
SCHEMBL20627230 0.80 FEN1 (0.53) ALOX5APFEN1
SCHEMBL5269708 0.80 NCOA1 (0.35) ALOX5APFEN1
SCHEMBL20627514 0.80 FEN1 (0.56) ALOX5APFEN1
SCHEMBL20627285 0.77 FEN1 (0.64) ALOX5APFEN1
SCHEMBL20627332 0.76 FEN1 (0.60) ALOX5APFEN1
SCHEMBL20627398 0.73 FEN1 (0.50) ALOX5APFEN1

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
EP-3495359-A1 FLAP MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed