SCHEMBL6948905

SCHEMBL6948905

O=[N+]([O-])c1cc(Oc2ccc(Cl)nn2)c(Cl)cc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.37
S1PR4 O95977 3/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PIN1 Q13526 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HIF1A Q16665 1/20 0.36
HPGD P15428 1/20 0.35
VCAM1 P19320 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
MERTK Q12866 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
SCHEMBL6945819 0.78 PIN1 (0.38) HSPB1S1PR4ATMTDP1PIN1
SCHEMBL27581359 0.74 PIN1 (0.39) S1PR4ATMTDP1PIN1ALDH1A1
SCHEMBL6949963 0.74 ALDH1A1 (0.43) HSPB1S1PR4TDP1PIN1ALDH1A1
SCHEMBL21612777 0.74 TDP1 (0.36) HSPB1ATMTDP1PIN1ALDH1A1
SCHEMBL6949952 0.73 PIN1 (0.42) HSPB1S1PR4ATMTDP1PIN1
SCHEMBL9632914 0.73 MERTK (0.49) HSPB1TDP1ALDH1A1HPGDMAPT
SCHEMBL29580289 0.73 TDP1 (0.52) ATMTDP1ALDH1A1HIF1AHPGD
SCHEMBL123793 0.73 TDP1 (0.52) ATMTDP1ALDH1A1HIF1AHPGD
SCHEMBL14578462 0.73 TDP1 (0.52) ATMTDP1ALDH1A1HIF1AHPGD
SCHEMBL193774 0.72 ALDH1A1 (0.47) ATMTDP1ALDH1A1HIF1AHPGD

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-1144380-A4 A META-NITRO PHENOL DERIVATIVE AND A PROCESS FOR PRODUCING IT ISHIHARA SANGYO KAISHA (JP) 2003-11-26 EP disclosed
CN-1376145-A A meta-nitro phenol derivative and a process for producing it ISHIHARA SANGYO KAISHA (JP) 2002-10-23 CN disclosed
EP-1144380-A1 A META-NITRO PHENOL DERIVATIVE AND A PROCESS FOR PRODUCING IT ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-10-17 EP disclosed
WO-2000032573-A1 A META-NITRO PHENOL DERIVATIVE AND A PROCESS FOR PRODUCING IT ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-06-08 WO disclosed