SCHEMBL7511077

SCHEMBL7511077

C=CC(=O)Nc1ccc(S(=O)(=O)O)c(N)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.49
TGM2 P21980 17/20 0.49
F13A1 P00488 7/20 0.46
TGM1 P22735 7/20 0.46
TGM3 Q08188 2/20 0.46
LMNA P02545 1/20 0.46
EGFR P00533 1/20 0.41
ENPP2 Q13822 1/20 0.40

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
SCHEMBL11416133 0.88 GSTO1 (0.52) GSTO1TGM2F13A1TGM1TGM3
SCHEMBL4658724 0.83 TGM2 (0.50) GSTO1TGM2F13A1TGM1TGM3
SCHEMBL29829616 0.83 TGM2 (0.50) GSTO1TGM2F13A1TGM1TGM3
SCHEMBL16977398 0.81 GSTO1 (0.55) GSTO1TGM2F13A1TGM1TGM3
SCHEMBL6937725 0.81 NT5E (0.52) LMNAENPP2
SCHEMBL1755227 0.80 ENPP2 (0.56) ENPP2
SCHEMBL17327901 0.79 ENPP2 (0.63) GSTO1TGM2F13A1TGM1TGM3
Water SCHEMBL26111069 0.78 ENPP2 (0.55) ENPP2
SCHEMBL11340190 0.78 GPR35 (0.49) ENPP2
SCHEMBL7050762 0.78 ENPP2 (0.55) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699719-B1 Azodyes, process for their preparation and the use thereof CIBA SC HOLDING AG (CH) 2002-01-02 EP disclosed
US-5616695-A YELLOW DYES HAVING GOOD FASTNESS PROPERTIES CIBA-GEIGY CORPORATION (US) 1997-04-01 US disclosed
EP-0699719-A2 Azodyes, process for their preparation and the use thereof CIBA-GEIGY AG (CH) 1996-03-06 EP disclosed
US-4033943-A Fiber reactive water soluble 2,4,6-triamino, 3-cyano pyridine-(5) azo dyestuffs CIBA-GEIGY CORPORATION (US) 1977-07-05 US disclosed