SCHEMBL842682

SCHEMBL842682

NS(=O)(=O)c1cc2c3c(cc(S(=O)O)cc3c1)-c1nc3ccc(S(=O)(=O)O)cc3nc1-2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
NT5E P21589 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CASP6 P55212 1/20 0.31
CYP1A2 P05177 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL840742 0.89 TDP1 (0.50) TDP1NT5EALDH1A1HSD17B10CYP2C9
SCHEMBL838123 0.88 TDP1 (0.49) TDP1NT5EALDH1A1HSD17B10CYP2C9
SCHEMBL842390 0.84 TDP1 (0.54) TDP1NT5EALDH1A1HSD17B10CYP2C9
SCHEMBL14845574 0.81 TDP1 (0.48) TDP1NT5EALDH1A1HSD17B10CASP6
SCHEMBL13366657 0.81 TDP1 (0.42) TDP1NT5EALDH1A1HSD17B10CYP2C9
SCHEMBL13772379 0.78 TDP1 (0.44) TDP1NT5EALDH1A1HSD17B10CYP2C9
SCHEMBL840932 0.77 TDP1 (0.51) TDP1NT5EALDH1A1HSD17B10CYP1A2
SCHEMBL14336345 0.76 RAB9A (0.50) TDP1NT5EALDH1A1CYP2C19PKM
SCHEMBL842805 0.74 NT5E (0.37) TDP1NT5EALDH1A1HSD17B10CYP2C9
SCHEMBL14389316 0.73 MAPT (0.51) TDP1ALDH1A1

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
US-8142863-B2 Color liquid crystal display and compensation panel Crysoptix, KK (JP) 2012-03-27 US disclosed
US-20090268136-A1 Color Liquid Crystal Display and Compensation Panel CRYSOPTIX KK (JP) 2009-10-29 US disclosed