SCHEMBL8772709

SCHEMBL8772709

Cc1c(N)ccc(/C=C/c2ccc(N)c(C)c2S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP2 Q9HC62 5/20 0.36
SENP1 Q9P0U3 5/20 0.36
SENP3 Q9H4L4 4/20 0.36
SUMO2 P61956 3/20 0.36
SUMO1 P63165 3/20 0.36
SENP7 Q9BQF6 3/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 3/20 0.35
HSD17B10 Q99714 3/20 0.35
NT5E P21589 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
CASP1 P29466 2/20 0.35
RECQL P46063 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ENPP2 Q13822 1/20 0.33

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
SCHEMBL8772714 1.00 SENP2 (0.36) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL2575387 0.82 SENP2 (0.38) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL428171 0.82 TSHR (0.39) ALDH1A1CYP3A4HSD17B10NT5EGAA
SCHEMBL9001549 0.79 TSHR (0.36) ALDH1A1CYP3A4HSD17B10NT5EGAA
SCHEMBL5147470 0.77 SENP2 (0.38) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL9232347 0.76 ALDH1A1 (0.44) ALDH1A1CYP3A4HSD17B10NT5EGAA
SCHEMBL7549672 0.73 TTR (0.44) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL38675 0.73 TTR (0.44) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL1719173 0.73 TRPA1 (0.41) SENP2SENP1SENP3SUMO2SUMO1
SCHEMBL6247385 0.73 CYP19A1 (0.43) SENP7ALDH1A1CYP3A4HSD17B10NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606013-B1 Polymer scale preventive agent SHINETSU CHEMICAL CO (JP) 1997-10-22 EP claimed
US-5424377-A Process to prevent scale adhesion using condensation product of aromatic amine and a quinone SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-06-13 US claimed
EP-0606013-A1 Polymer scale preventive agent Shin-Etsu Chemical Co., Ltd. (JP) 1994-07-13 EP claimed
EP-0606013-B1 Polymer scale preventive agent SHINETSU CHEMICAL CO (JP) 1997-10-22 EP disclosed
US-5424377-A Process to prevent scale adhesion using condensation product of aromatic amine and a quinone SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-06-13 US disclosed
EP-0606013-A1 Polymer scale preventive agent Shin-Etsu Chemical Co., Ltd. (JP) 1994-07-13 EP disclosed