SCHEMBL21089073

SCHEMBL21089073

CC(C)(C)N[S+]([O-])c1ccccc1-c1ccc(-c2ccc3c(c2)CC(=O)N3)c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.64
▸ FEN1 P39748 2/20 0.64
▸ GRIA1 P42261 5/20 0.50
▸ CACNG8 Q8WXS5 3/20 0.50
▸ TDP2 O95551 2/20 0.42
▸ BRD4 O60885 2/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ PGR P06401 3/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ CRBN Q96SW2 2/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ CCNE1 P24864 1/20 0.37

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
SCHEMBL15916977 0.78 ALOX5AP (1.00) ALOX5APFEN1
SCHEMBL24884440 0.76 GRIA1 (0.69) ALOX5APFEN1GRIA1CACNG8TDP2
SCHEMBL15923984 0.74 ALOX5AP (0.72) ALOX5APFEN1GRIA1CACNG8TDP2
SCHEMBL20627386 0.73 ALOX5AP (0.36) ALOX5APFEN1
SCHEMBL21089445 0.73 ALOX5AP (0.65) ALOX5APFEN1
SCHEMBL10711255 0.72 GRIA1 (0.68) ALOX5APFEN1GRIA1CACNG8TDP2
SCHEMBL21089172 0.72 ALOX5AP (0.60) ALOX5APFEN1
SCHEMBL20627332 0.72 FEN1 (0.60) ALOX5APFEN1
SCHEMBL1899295 0.72 TDP2 (0.74) ALOX5APFEN1GRIA1CACNG8TDP2
SCHEMBL30191144 0.72 TDP2 (0.74) ALOX5APFEN1GRIA1CACNG8TDP2

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
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