SCHEMBL8786191

SCHEMBL8786191

O=[N+]([O-])c1cc(Br)cc(Br)c1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
ERN1 O75460 1/20 0.37
MAPK1 P28482 3/20 0.36
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
S100A4 P26447 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
PKM P14618 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
RAB9A P51151 2/20 0.33
WNK1 Q9H4A3 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL11831879 0.73 THRA (0.36) HSP90AA1MEN1KMT2AKDM4EALDH1A1
SCHEMBL11238889 0.71 HSP90AA1 (0.38) HSP90AA1MAPTMEN1KMT2AALDH1A1
SCHEMBL11520409 0.70 TDP1 (0.47) HSP90AA1MAPK1MAPTMEN1KMT2A
SCHEMBL8785581 0.70 CYP2D6 (0.40) MAPTMEN1KMT2AKDM4ECYP3A4
SCHEMBL3081986 0.69 ALDH1A1 (0.56) HSP90AA1MAPTMEN1KMT2AKDM4E
SCHEMBL17048309 0.69 MEN1 (0.43) MAPK1MAPTMEN1KMT2AALDH1A1
SCHEMBL11213673 0.69 ALDH1A1 (0.43) ERN1MAPK1MAPTMEN1KMT2A
SCHEMBL2015538 0.69 HSP90AA1 (0.56) HSP90AA1MAPK1MAPTMEN1KMT2A
SCHEMBL28092026 0.68 TDP1 (0.44) HSP90AA1MAPK1MAPTMEN1KMT2A
SCHEMBL29706644 0.67 ALDH1A1 (0.68) ERN1MAPK1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623113-B1 PYRAZOLE CARBOXANILIDE FUNGICIDES MONSANTO CO (US) 1997-03-05 EP disclosed
EP-0623113-A1 PYRAZOLE CARBOXANILIDE FUNGICIDES. MONSANTO CO (US) 1994-11-09 EP disclosed
US-5223526-A For plants MONSANTO COMPANY (US) 1993-06-29 US disclosed
WO-1993011117-A1 PYRAZOLE CARBOXANILIDE FUNGICIDES MONSANTO COMPANY (US) 1993-06-10 WO disclosed