SCHEMBL12124147

SCHEMBL12124147

Clc1cc2nc3cc(Cl)c(Cl)cc3nc2cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.53
CDK1 P06493 1/20 0.53
PIM1 P11309 1/20 0.53
DYRK1A Q13627 1/20 0.53
PIM3 Q86V86 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
NQO2 P16083 3/20 0.50
GLP1R P43220 6/20 0.43
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
AHR P35869 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
NQO1 P15559 1/20 0.37

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
SCHEMBL405486 0.86 TDP1 (0.50) MAPK13CDK1PIM1DYRK1APIM3
SCHEMBL29558616 0.86 TDP1 (0.50) MAPK13CDK1PIM1DYRK1APIM3
SCHEMBL29512047 0.86 NQO2 (0.52) MAPK13CDK1PIM1DYRK1APIM3
SCHEMBL2245783 0.86 NQO2 (0.52) MAPK13CDK1PIM1DYRK1APIM3
SCHEMBL2368230 0.85 NQO2 (0.57) MAPK13CDK1PIM1DYRK1APIM3
SCHEMBL8686412 0.85 NQO2 (0.62) MAPK13CDK1PIM1DYRK1APIM3
SCHEMBL1259520 0.81 HRH4 (0.52) MAPK13CDK1PIM1DYRK1APIM3
SCHEMBL1258596 0.81 MMP1 (0.50) MAPK13CDK1PIM1DYRK1APIM3
SCHEMBL11805682 0.81 MMP1 (0.44) MAPK13CDK1PIM1DYRK1APIM3
2,3-Dihydroxy-6,7-Dichloroquinoxaline SCHEMBL1259521 0.81 MMP1 (0.50) MAPK13CDK1PIM1DYRK1APIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8056732-B2 Microporous polymer material THE UNIVERSITY OF MANCHESTER (GB) 2011-11-15 US disclosed
US-8056732-B2 Microporous polymer material THE UNIVERSITY OF MANCHESTER (GB) 2011-11-15 US disclosed
US-20100304112-A1 MICROPOROUS POLYMER MATERIAL THE UNIVERSITY OF MANCHESTER (GB) 2010-12-02 US disclosed
US-20100304112-A1 MICROPOROUS POLYMER MATERIAL THE UNIVERSITY OF MANCHESTER (GB) 2010-12-02 US disclosed
US-7690514-B2 Microporous polymer material THE UNIVERSITY OF MANCHESTER (GB) 2010-04-06 US disclosed
US-7690514-B2 Microporous polymer material THE UNIVERSITY OF MANCHESTER (GB) 2010-04-06 US disclosed