SCHEMBL1258596

SCHEMBL1258596

Clc1cc2nc(Br)c(Br)nc2cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
MAPK13 O15264 1/20 0.43
CDK1 P06493 1/20 0.43
PIM1 P11309 1/20 0.43
DYRK1A Q13627 1/20 0.43
PIM3 Q86V86 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
NQO2 P16083 2/20 0.39
GLP1R P43220 6/20 0.38
AHR P35869 2/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL7237225 0.83 GLP1R (0.48) MMP1MMP2MMP3MAPK13CDK1
SCHEMBL12124147 0.81 MAPK13 (0.53) MMP1MMP2MMP3MAPK13CDK1
SCHEMBL1291867 0.78 PGK1 (0.57) MMP1MMP2MMP3
SCHEMBL6305874 0.78 GLP1R (0.53) MMP1MMP2MMP3MAPK13CDK1
SCHEMBL1291759 0.78 PGK1 (0.57) NQO2GAA
SCHEMBL29512047 0.75 NQO2 (0.52) MMP1MMP2MMP3MAPK13CDK1
SCHEMBL29558616 0.75 TDP1 (0.50) MMP1MMP2MMP3MAPK13CDK1
SCHEMBL2245783 0.75 NQO2 (0.52) MMP1MMP2MMP3MAPK13CDK1
SCHEMBL405486 0.75 TDP1 (0.50) MMP1MMP2MMP3MAPK13CDK1
SCHEMBL8647953 0.71 MMP1 (0.33) MMP1MMP2MMP3MAPK13CDK1

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
US-20130224624-A1 PROTON EXCHANGE MEMBRANES RENO (US) 2013-08-29 US disclosed
US-20110033776-A1 PROTON EXCHANGE MEMBRANES Board of regents of the Nevada System of Higher Education, on Behalf of the University of 2011-02-10 US disclosed
US-6548499-B1 N-(1-Azabicyclo(2.2.2)octanyl-3-pyridinyl)-3-(2-pyridinyl)-2 -quinoxalinamine, for example; treating various chemokine mediated diseases MILLENNIUM PHARMACEUTICALS, INC. 2003-04-15 US disclosed
WO-1999042463-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS INTERLEUKIN-8 RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-08-26 WO disclosed