SCHEMBL5690779

SCHEMBL5690779

Nc1ccc([N+](=O)[O-])cc1OS(=O)(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
ALDH1A1 P00352 6/20 0.51
TDP1 Q9NUW8 5/20 0.51
CYP3A4 P08684 3/20 0.51
GAA P10253 2/20 0.50
THRB P10828 1/20 0.50
NT5E P21589 1/20 0.48
ALOX15 P16050 1/20 0.46
TSHR P16473 2/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
KMT2A Q03164 2/20 0.42
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA13 Q8N1Q1 1/20 0.42

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
SCHEMBL22578674 0.89 TDP1 (0.61) HTTALDH1A1TDP1CYP3A4GAA
SCHEMBL28211614 0.86 HTT (0.64) HTTALDH1A1TDP1CYP3A4GAA
SCHEMBL9000088 0.86 HTT (0.46) HTTALDH1A1TDP1CYP3A4GAA
SCHEMBL29126214 0.83 GPR35 (0.51) HTTALDH1A1TDP1GAATHRB
SCHEMBL8625593 0.83 HTT (0.65) HTTALDH1A1TDP1CYP3A4GAA
SCHEMBL8006861 0.82 GPR35 (0.56) HTTALDH1A1TDP1CYP3A4GAA
SCHEMBL9655475 0.80 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL9655466 0.80 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL2967258 0.80 GPR35 (0.51) HTTALDH1A1TDP1GAATHRB
SCHEMBL8010675 0.80 NT5E (0.66) HTTALDH1A1TDP1CYP3A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250913-B1 ONE-PACK TYPE POST-FOAMABLE OXIDATION HAIR-DYE COMPOSITIONS SCHWARZKOPF & HENKEL K K (JP) 2006-04-12 EP disclosed
EP-1250913-A1 ONE-PACK TYPE POST-FOAMABLE OXIDATION HAIR-DYE COMPOSITIONS Henkel Lion Cosmetics Co., Ltd. (JP) 2002-10-23 EP disclosed
EP-0031099-B1 COMPOUNDS WITH REACTIVE RESTS AND THEIR USE IN DYEING FIBRES BASF Aktiengesellschaft (DE) 1984-07-18 EP disclosed
EP-0014378-B1 TRIS- OR TETRAKISAZO-DYESTUFFS AND THEIR USE FOR DYEING LEATHER BASF Aktiengesellschaft (DE) 1981-11-04 EP disclosed
EP-0031099-A2 Compounds with reactive rests and their use in dyeing fibres BASF Aktiengesellschaft (DE) 1981-07-01 EP disclosed