SCHEMBL8811065

SCHEMBL8811065

COc1ccc(N=Nc2ccc(N)c(S(=O)(=O)O)c2)cc1S(=O)(=O)CCOS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.39
SENP2 Q9HC62 7/20 0.37
SENP1 Q9P0U3 6/20 0.37
SUMO2 P61956 5/20 0.37
SUMO1 P63165 5/20 0.37
SENP7 Q9BQF6 5/20 0.37
SENP3 Q9H4L4 4/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
THRB P10828 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35

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
SCHEMBL7716407 0.84 MEN1 (0.38) PTGS1PTGS2SENP2SENP1SUMO2
SCHEMBL9750422 0.84 SENP2 (0.38) PTGS1PTGS2SENP2SENP1SUMO2
SCHEMBL9749721 0.83 THRB (0.47) PTGS1PTGS2SENP2SENP1SUMO2
SCHEMBL7720103 0.82 SENP2 (0.47) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL8819477 0.81 SMN1; SMN2 (0.37) PTGS1PTGS2KDM4EALDH1A1MAPT
SCHEMBL7718129 0.81 SENP2 (0.46) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL9750092 0.79 SENP2 (0.40) SENP2SENP1SUMO2SUMO1SENP7
SCHEMBL6938609 0.79 HSD17B10 (0.39) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL7712999 0.78 THRB (0.44) PTGS1PTGS2SENP2SENP1SUMO2
SCHEMBL7717688 0.76 MEN1 (0.44) PTGS1SENP2SENP1SUMO2SUMO1

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
US-5686642-A Compounds useful for the preparation of bi-and polyfunctional reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1997-11-11 US disclosed
US-5597902-A MONOAZO DYES, DISAZO DYES, NAPHTHOL DYES AND TRIAZO DYES FOR SILK, WOOL, LEATHER AND POLYAMIDES OR CELLULOSE BAYER AKTIENGESELLSCHAFT (DE) 1997-01-28 US disclosed
US-5502174-A Reactive dyestuffs based on a substituted barbituric acid BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
US-5093484-A Water soluble; colorfast shades on cotton BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed