SCHEMBL5889361

SCHEMBL5889361

CC(=O)Nc1cc(N)ccc1N=Nc1cc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.49
▸ CASP6 P55212 3/20 0.44
▸ CA2 P00918 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ NSD2 O96028 1/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ PTPN5 P54829 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ NT5E P21589 1/20 0.40
▸ CD40 P25942 1/20 0.39
▸ CD40LG P29965 1/20 0.39
▸ SUMO2 P61956 2/20 0.39
▸ SUMO1 P63165 2/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ SENP2 Q9HC62 2/20 0.39
▸ ATIC P31939 1/20 0.39
▸ SENP3 Q9H4L4 1/20 0.38
▸ SENP1 Q9P0U3 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 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
SCHEMBL9236858 1.00 ENPP2 (0.49) ENPP2CASP6CA2CA3NSD2
SCHEMBL8047831 1.00 ENPP2 (0.49) ENPP2CASP6CA2CA3NSD2
SCHEMBL9236836 0.99 ENPP2 (0.48) ENPP2CASP6CA2CA3NSD2
SCHEMBL9238793 0.91 NT5E (0.41) ENPP2CASP6NSD2DUSP3PTPN5
SCHEMBL4699280 0.91 NT5E (0.41) ENPP2CASP6NSD2DUSP3PTPN5
SCHEMBL6030186 0.91 NT5E (0.41) ENPP2CASP6NSD2DUSP3PTPN5
SCHEMBL9238781 0.90 NT5E (0.41) ENPP2CASP6NSD2DUSP3PTPN5
SCHEMBL8780009 0.88 ENPP2 (0.51) ENPP2CASP6CA2CA3NSD2
SCHEMBL9236846 0.84 APEX1 (0.46) ENPP2CASP6CA2CA3ALDH1A1
SCHEMBL17681933 0.82 SENP2 (0.56) ENPP2CASP6NSD2DUSP3PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7029503-B2 Disazo compound, reactive dye composition, and method of dyeing cellulose or cellulose-containing fibers NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2006-04-18 — — US disclosed
US-20040117924-A1 Disazo compound, reactive dye composition, and methods of dyeing cellulose or cellulose-containing fiber NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2004-06-24 — — US disclosed
EP-1386947-A1 DISAZO COMPOUND, REACTIVE DYE COMPOSITION, AND METHODS OF DYEING CELLULOSE OR CELLULOSE-CONTAINING FIBER Nippon Kayaku Kabushiki Kaisha (JP) 2004-02-04 — — EP disclosed
US-5599911-A Fiber-reactive dyes having a central 1,3,5-triazine ring to which are bonded to a monoazo chromophore having another 1,3,5-triazine moiety and a second chromophore CIBA-GEIGY CORPORATION (US) 1997-02-04 — — US disclosed
US-4912244-A Vinylsulfonylalkylamino-alkylamines as intermediates for the preparation of fiber-reactive dyes CIBA-GEIGY CORPORATION (US) 1990-03-27 — — US disclosed
US-4782140-A Triazinyl reactive dyes containing additional fiber reactive groups bound through the sulfonylalkylaminoalkylamino bridge CIBA-GIEGY CORPORATION (US) 1988-11-01 — — US disclosed
EP-0144766-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1988-10-05 — — EP disclosed
US-4754023-A Reactive dyestuffs comprising a triazine moiety and a vinylsulfonyl moiety both being linked by a substituted alkylene bridge member CIBA-GEIGY CORPORATION (US) 1988-06-28 — — US disclosed
EP-0159292-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1988-01-07 — — EP disclosed
EP-0159292-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-10-23 — — EP disclosed
EP-0144766-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 — — EP disclosed
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