SCHEMBL8856230

SCHEMBL8856230

O=[N+]([O-])C(Br)=Cc1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 11/20 0.68
▸ TRPA1 O75762 1/20 0.42
▸ MAOB P27338 2/20 0.41
▸ MAOA P21397 1/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8856223 1.00 FBP1 (0.68) FBP1TRPA1MAOBMAOAPTGS2
SCHEMBL27793303 0.82 FBP1 (0.70) FBP1
SCHEMBL8856283 0.81 FBP1 (0.68) FBP1MAOBMAOAPTGS2HSD17B10
SCHEMBL8856360 0.81 FBP1 (0.68) FBP1PTGS2
SCHEMBL8856279 0.81 FBP1 (0.68) FBP1MAOBMAOAPTGS2HSD17B10
SCHEMBL8856356 0.81 FBP1 (0.68) FBP1PTGS2
SCHEMBL2820854 0.80 FBP1 (1.00) FBP1
SCHEMBL205356 0.80 FBP1 (1.00) FBP1
SCHEMBL205355 0.80 FBP1 (1.00) FBP1
SCHEMBL1245804 0.77 FBP1 (0.67) FBP1TRPA1MAOBMAOAPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398795-B1 Aqueous isothiazolone formulation KATAYAMA CHEMICAL WORKS CO (JP) 1996-03-27 — — EP claimed
EP-0398795-A2 Aqueous isothiazolone formulation KATAYAMA CHEMICAL, INC. (JP) 1990-11-22 — — EP claimed
CN-101851177-A Synthetic method of 5-nitryl-2,4-diphenyl cyclopentyl-2-ene-1,1-dinitrile and derivative thereof UNIV ZHEJIANG NORMAL 2010-10-06 — — CN disclosed
CN-101845048-A Synthetic method of 2-nitro-2,3-dihydrofuran derivative UNIV ZHEJIANG NORMAL 2010-09-29 — — CN disclosed
US-5591759-A ANTISEPTIC, ANTIFUNGAL TREATMENT KATAYAMA CHEMICAL, INC. (JP) 1997-01-07 — — US disclosed
EP-0398795-B1 Aqueous isothiazolone formulation KATAYAMA CHEMICAL WORKS CO (JP) 1996-03-27 — — EP disclosed
EP-0398795-A2 Aqueous isothiazolone formulation KATAYAMA CHEMICAL, INC. (JP) 1990-11-22 — — EP disclosed
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