SCHEMBL18138458

SCHEMBL18138458

[O]Cc1cc(Cl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
MAPK1 P28482 1/20 0.44
SNCA P37840 1/20 0.42
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPR35 Q9HC97 2/20 0.40
PDE7A Q13946 2/20 0.39
ALDH1A1 P00352 4/20 0.39
VCAM1 P19320 4/20 0.39
CYP3A4 P08684 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KDM4A O75164 1/20 0.38
KDM4B O94953 1/20 0.38

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
SCHEMBL18138428 0.86 TSHR (0.47) TSHRMAPK1TDP1GPR35ALDH1A1
SCHEMBL11127500 0.83 PDK1 (0.46) TSHRMAPK1SNCAHSD17B10TDP1
SCHEMBL15158311 0.82 TSHR (0.42) TSHRMAPK1SNCAHSD17B10TDP1
SCHEMBL30216843 0.82 TSHR (0.42) TSHRMAPK1SNCAHSD17B10TDP1
SCHEMBL3776675 0.82 TSHR (0.42) TSHRMAPK1SNCAHSD17B10TDP1
SCHEMBL4992543 0.82 SNCA (0.46) TSHRMAPK1SNCAHSD17B10TDP1
SCHEMBL3240210 0.79 TSHR (0.56) TSHRMAPK1HSD17B10TDP1GPR35
SCHEMBL29783588 0.79 TSHR (0.56) TSHRMAPK1HSD17B10TDP1GPR35
SCHEMBL9238543 0.79 TSHR (0.40) TSHRMAPK1SNCAHSD17B10TDP1
SCHEMBL5631882 0.77 CYP1A2 (0.58) TSHRMAPK1SNCAGPR35ALDH1A1

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-3081612-B1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO LTD (JP) 2018-11-14 EP disclosed
US-9718999-B2 Photocurable composition having adhesive properties CEMEDINE CO., LTD (JP) 2017-08-01 US disclosed
US-20160312089-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO., LTD. (JP) 2016-10-27 US disclosed
EP-3081612-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES Cemedine Co., Ltd. (JP) 2016-10-19 EP disclosed