SCHEMBL14228655

SCHEMBL14228655

C/N=N/c1ccc(N)c2ccc(S(=O)(=O)O)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SENP3 Q9H4L4 6/20 0.60
▸ SENP2 Q9HC62 6/20 0.60
▸ SENP1 Q9P0U3 6/20 0.60
▸ SUMO2 P61956 4/20 0.60
▸ SUMO1 P63165 4/20 0.60
▸ SENP7 Q9BQF6 4/20 0.60
▸ PHLPP2 Q6ZVD8 1/20 0.60
▸ HSD17B10 Q99714 3/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ SLC7A11 Q9UPY5 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.46
▸ CASP6 P55212 1/20 0.46
▸ GLO1 Q04760 5/20 0.43
▸ PTPN1 P18031 1/20 0.38
▸ DUSP5 Q16690 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL20735909 0.87 SENP2 (0.60) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL2592899 0.85 CYP2C9 (0.73) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL2592902 0.85 CYP2C9 (0.73) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL12177917 0.84 CYP2C9 (0.75) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL11401043 0.84 SENP3 (0.67) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL14997205 0.83 SENP3 (0.55) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL15120312 0.83 SENP2 (0.72) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL11938158 0.82 PHLPP2 (0.64) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL2594010 0.82 SENP3 (0.83) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL12177950 0.82 SENP2 (0.64) SENP3SENP2SENP1SUMO2SUMO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008042806-A2 STILBENEDISULFONIC ACID DERIVATIVES AS INHIBITORS OF RETROVIRAL INTEGRASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-04-10 — — WO disclosed
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