SCHEMBL11040922

SCHEMBL11040922

Cc1c([N+](=O)[O-])ccc(Cl)c1O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
GPR35 Q9HC97 5/20 0.47
TSHR P16473 4/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
VCAM1 P19320 3/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL38652666 0.85 TDP1 (0.52) TDP1GPR35TSHRMAPK1SMN1; SMN2
SCHEMBL4864448 0.82 TDP1 (0.57) TDP1TSHRMAPK1SMN1; SMN2VCAM1
SCHEMBL9516342 0.80 TDP1 (0.67) TDP1GPR35TSHRMAPK1SMN1; SMN2
SCHEMBL1265167 0.80 TDP1 (0.54) TDP1GPR35TSHRSMN1; SMN2CYP3A4
SCHEMBL278506 0.80 TDP1 (0.67) TDP1TSHRMAPK1SMN1; SMN2VCAM1
SCHEMBL2651124 0.80 TDP1 (0.54) TDP1GPR35TSHRMAPK1SMN1; SMN2
SCHEMBL30256667 0.80 TDP1 (0.67) TDP1TSHRMAPK1SMN1; SMN2VCAM1
SCHEMBL28755195 0.78 TDP1 (0.52) TDP1GPR35TSHRMAPK1SMN1; SMN2
SCHEMBL2002527 0.78 TDP1 (0.53) TDP1TSHRMAPK1SMN1; SMN2VCAM1
SCHEMBL4011818 0.77 TDP1 (0.52) TDP1GPR35TSHRMAPK1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0039030-B1 COUPLER COMPONENTS FOR OXIDATIVE HAIR DYES, THEIR PREPARATION AND THEIR USE, AND HAIR DYEING COMPOSITIONS CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1984-07-18 EP disclosed
EP-0039030-A1 Coupler components for oxidative hair dyes, their preparation and their use, and hair dyeing compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-04 EP disclosed