SCHEMBL8856283

SCHEMBL8856283

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 10/20 0.68
▸ MEN1 O00255 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ CYP2A6 P11509 1/20 0.40
▸ NFE2L2 Q16236 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
SCHEMBL8856279 1.00 FBP1 (0.68) FBP1MEN1JAK2MITFALDH1A1
SCHEMBL27793303 0.82 FBP1 (0.70) FBP1MEN1JAK2MITFALDH1A1
SCHEMBL8856360 0.81 FBP1 (0.68) FBP1ALDH1A1MAPTPTGS2
SCHEMBL8856230 0.81 FBP1 (0.68) FBP1HSD17B10PTGS2MAOAMAOB
SCHEMBL8856356 0.81 FBP1 (0.68) FBP1ALDH1A1MAPTPTGS2
SCHEMBL8856223 0.81 FBP1 (0.68) FBP1HSD17B10PTGS2MAOAMAOB
SCHEMBL27793237 0.80 FBP1 (0.62) FBP1ALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL205355 0.80 FBP1 (1.00) FBP1MEN1ALDH1A1KMT2A
SCHEMBL2820854 0.80 FBP1 (1.00) FBP1MEN1ALDH1A1KMT2A
SCHEMBL205356 0.80 FBP1 (1.00) FBP1MEN1ALDH1A1KMT2A

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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