SCHEMBL8856356

SCHEMBL8856356

O=[N+]([O-])/C(Br)=C\c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 7/20 0.68
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
APP P05067 1/20 0.50
GRIN2D O15399 2/20 0.49
GRIN3B O60391 2/20 0.49
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2C Q14957 2/20 0.49
GRIN3A Q8TCU5 2/20 0.49
PTGS2 P35354 2/20 0.47
PTGS1 P23219 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL8856360 1.00 FBP1 (0.68) FBP1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3109674 0.84 FBP1 (0.61) FBP1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL27793303 0.82 FBP1 (0.70) FBP1MAPTALDH1A1
SCHEMBL8856283 0.81 FBP1 (0.68) FBP1MAPTALDH1A1PTGS2
SCHEMBL8856279 0.81 FBP1 (0.68) FBP1MAPTALDH1A1PTGS2
SCHEMBL8856223 0.81 FBP1 (0.68) FBP1PTGS2
SCHEMBL8856230 0.81 FBP1 (0.68) FBP1PTGS2
SCHEMBL3852033 0.81 FBP1 (0.58) FBP1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3852031 0.81 FBP1 (0.58) FBP1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL11598115 0.80 FBP1 (0.61) FBP1MAPTKDM4EALDH1A1SMN1; SMN2

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 3 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
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