SCHEMBL10478010

SCHEMBL10478010

O=Cc1cc(Cl)c(Cl)c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
ALDH1A1 P00352 4/20 0.47
VCAM1 P19320 1/20 0.42
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
TDP1 Q9NUW8 2/20 0.39
ERN1 O75460 2/20 0.38
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
PRKDC P78527 1/20 0.37
DCTPP1 Q9H773 1/20 0.36

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
SCHEMBL9789842 0.86 TSHR (0.67) TSHRALDH1A1VCAM1GRIN2DGRIN3B
SCHEMBL11045708 0.83 TSHR (0.47) TSHRALDH1A1VCAM1GRIN2DGRIN3B
SCHEMBL29005655 0.79 TSHR (0.56) TSHRALDH1A1VCAM1TDP1ERN1
SCHEMBL5921857 0.79 TSHR (0.74) TSHRALDH1A1VCAM1GRIN2DGRIN3B
SCHEMBL203116 0.78 TSHR (0.67) TSHRALDH1A1VCAM1GRIN2DGRIN3B
SCHEMBL30766284 0.78 TSHR (0.67) TSHRALDH1A1VCAM1GRIN2DGRIN3B
SCHEMBL4625623 0.78 TXNRD1 (0.43) TSHRALDH1A1VCAM1ERN1HSD17B10
SCHEMBL28037942 0.76 TSHR (0.52) TSHRALDH1A1VCAM1GRIN2DGRIN3B
SCHEMBL30627400 0.76 TSHR (0.42) TSHRALDH1A1VCAM1GRIN2DGRIN3B
SCHEMBL26794162 0.75 ALDH1A1 (0.39) TSHRALDH1A1VCAM1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4859551-A Process for preparing positive and negative images using photohardenable electrostatic master E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-22 US disclosed
EP-0315121-A2 Process for preparing positive and negative images using photohardenable electrostatic master E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-05-10 EP disclosed
US-4456772-A Process for the preparation of optionally substituted fluoro-nitro-benzaldehydes BAYER AKTIENGESELLSCHAFT (DE) 1984-06-26 US disclosed
EP-0061113-B1 METHOD FOR THE PREPARATION OF OPTIONALLY SUBSTITUTED FLUORONITROBENZALDEHYDES BAYER AG (DE) 1984-06-06 EP disclosed
EP-0061113-A1 Method for the preparation of optionally substituted fluoronitrobenzaldehydes BAYER AG (DE) 1982-09-29 EP disclosed
US-4269933-A PHOTOLITHOGRAPHY; POSITIVE AND NEGATIVE IMAGES; POLYMERIZATION OF A UNSATURATED POLYESTER USING A PHOTOSENSITIVE FREE RADICAL SYSTEM E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-26 US disclosed
US-4205193-A CATALYST FROM ALUMINUM AND TITANIUM COMPOUND, ORGANOOXYGEN COMPOUND AND ORGANOSULFUR CONTAINING COMPOUND MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1980-05-27 US disclosed
US-4198242-A Photopolymerizable composition containing an o-nitroaromatic compound as photoinhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-15 US disclosed