SCHEMBL6355256

SCHEMBL6355256

Nc1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
NSD2 O96028 1/20 0.53
PLCG1 P19174 1/20 0.53
DNMT1 P26358 1/20 0.53
CASP6 P55212 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 5/20 0.45
TSHR P16473 3/20 0.45
NT5E P21589 3/20 0.45
GPR35 Q9HC97 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA2 P00918 3/20 0.43
CA5A P35218 2/20 0.43
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41
CA1 P00915 2/20 0.41

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
SCHEMBL668513 0.86 CYP19A1 (0.52) GAANSD2PLCG1DNMT1CASP6
SCHEMBL11228135 0.86 GAA (0.52) GAANSD2PLCG1DNMT1CASP6
SCHEMBL11221366 0.84 GAA (0.50) GAANSD2PLCG1DNMT1CASP6
SCHEMBL28543490 0.84 GAA (0.50) GAANSD2PLCG1DNMT1CASP6
SCHEMBL2868538 0.83 CA2 (0.58) GAAALDH1A1TSHRTDP1CA2
SCHEMBL2311386 0.81 POLB (0.47) GAAALDH1A1TSHRGPR35TDP1
SCHEMBL3202730 0.79 GAA (0.50) GAANSD2PLCG1DNMT1CASP6
SCHEMBL11013645 0.78 NT5E (0.52) GAANSD2PLCG1DNMT1CASP6
SCHEMBL14902037 0.78 TSHR (0.61) GAANSD2PLCG1DNMT1CASP6
SCHEMBL1024318 0.78 ACP1 (0.50) GAANSD2PLCG1DNMT1CASP6

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
US-20050203286-A1 Environmental protection series of reactive dyestuffs and their use EVERLIGHT USA, INC. (US) 2005-09-15 US disclosed
CN-1666988-A Environmental protection reactive dyeing and use thereof EVERLIGHT USA INC (US) 2005-09-14 CN disclosed
US-5527886-A MONO-DI OR POLYAZO DYES; COLORFASTNESS SANDOZ LTD. (CH) 1996-06-18 US disclosed
US-4294580-A HYDROXYL OR NITROGEN, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-10-13 US disclosed
US-4270918-A METALLIZED TRIAZINE-FUNCTIONAL MONOAZO DYE CIBA-GEIGY CORPORATION (US) 1981-06-02 US disclosed