SCHEMBL18657403

SCHEMBL18657403

O=[N+]([O-])c1cc(Sc2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.60
VCAM1 P19320 11/20 0.55
TDP1 Q9NUW8 2/20 0.53
TYMS P04818 1/20 0.48
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
PDE7B Q9NP56 1/20 0.45
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45

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
SCHEMBL23507204 0.93 PDE7A (0.58) PDE7AVCAM1TDP1TSHRMAPK1
SCHEMBL11574501 0.91 PDE7A (0.56) PDE7AVCAM1TDP1TYMSLMNA
SCHEMBL5861079 0.88 VCAM1 (0.55) PDE7AVCAM1TDP1TSHRMAPK1
SCHEMBL30387572 0.88 VCAM1 (0.55) PDE7AVCAM1TDP1TSHRMAPK1
SCHEMBL2080483 0.85 VCAM1 (0.51) PDE7AVCAM1TDP1MAPK1LMNA
SCHEMBL5861086 0.85 VCAM1 (0.51) PDE7AVCAM1TDP1TSHRMAPK1
SCHEMBL21573611 0.85 VCAM1 (0.54) PDE7AVCAM1TDP1TYMSTSHR
SCHEMBL10452555 0.84 PDE7A (0.50) PDE7AVCAM1TDP1TYMSLMNA
SCHEMBL27957717 0.83 VCAM1 (0.50) PDE7AVCAM1TDP1TSHRMAPK1
SCHEMBL24254563 0.80 VCAM1 (0.54) VCAM1TDP1MAPT

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-2749585-B1 BLOCK COPOLYMER, MANUFACTURING METHOD THEREFOR, AND POLYMER ELECTROLYTE MATERIAL, MOLDED POLYMER ELECTROLYTE, AND SOLID-POLYMER FUEL CELL USING SAID BLOCK COPOLYMER TORAY INDUSTRIES (JP) 2017-03-22 EP disclosed
CN-103787802-B One class arylalkyl thioethers compound and synthetic method thereof EAST CHINA NORMAL UNIVERSITY (CN) 2015-08-19 CN disclosed
CN-103787802-A Aryl alkyl thioether compounds and synthesis method thereof UNIV EAST CHINA NORMAL 2014-05-14 CN disclosed