SCHEMBL21089205

SCHEMBL21089205

CC(C)(C)N[S+]([O-])c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.56
FEN1 P39748 20/20 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
SCHEMBL20627167 0.81 FEN1 (0.59) ALOX5APFEN1
SCHEMBL21089481 0.81 ALOX5AP (0.56) ALOX5APFEN1
SCHEMBL20626957 0.80 FEN1 (0.45) ALOX5APFEN1
SCHEMBL21088933 0.80 FEN1 (0.46) ALOX5APFEN1
SCHEMBL20627424 0.79 FEN1 (0.60) ALOX5APFEN1
SCHEMBL20627239 0.79 FEN1 (0.58) ALOX5APFEN1
SCHEMBL20627164 0.79 ALOX5AP (0.58) ALOX5APFEN1
SCHEMBL5269708 0.77 NCOA1 (0.35) ALOX5APFEN1
SCHEMBL20627332 0.76 FEN1 (0.60) ALOX5APFEN1
SCHEMBL20626962 0.75 ALOX5AP (0.49) 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