SCHEMBL8882706

SCHEMBL8882706

O=C(O)c1cc(S(=O)(=O)O)c2cccnc2c1O.[Na]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.58
▸ COMT P21964 6/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ CYP1A2 P05177 2/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HSD17B10 Q99714 3/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ PTPRC P08575 1/20 0.52
▸ PTPN1 P18031 1/20 0.52
▸ PTPN6 P29350 1/20 0.52
▸ PTPN7 P35236 1/20 0.52
▸ PTPN11 Q06124 1/20 0.52
▸ PTPRJ Q12913 1/20 0.52
▸ DUSP26 Q9BV47 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ KDM4A O75164 2/20 0.49
▸ EGLN1 Q9GZT9 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49

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
SCHEMBL8883998 0.99 ENPP2 (0.60) ENPP2COMTKDM4ECYP1A2HIF1A
SCHEMBL8882696 0.97 ENPP2 (0.58) ENPP2COMTKDM4ECYP1A2HIF1A
SCHEMBL8882697 0.85 KDM4E (0.53) ENPP2COMTKDM4EHSD17B10PTPN7
SCHEMBL4461500 0.82 COMT (0.64) ENPP2COMTCYP1A2HIF1AHPGD
SCHEMBL28463407 0.81 KDM4E (0.74) KDM4EHIF1AHPGDHSD17B10ALOX15
SCHEMBL9818532 0.80 HSP90AA1 (0.66) ENPP2COMTCYP1A2HIF1AHPGD
8-Hydroxy-7-Iodo-5-Quinolinesulfonic Acid SCHEMBL27581572 0.78 HIF1A (0.56) ENPP2COMTKDM4ECYP1A2HIF1A
SCHEMBL2981945 0.78 COMT (0.66) ENPP2COMTKDM4ECYP1A2HIF1A
SCHEMBL22802119 0.78 COMT (0.67) ENPP2COMTKDM4ECYP1A2HIF1A
SCHEMBL13921640 0.78 COMT (0.66) ENPP2COMTCYP1A2HIF1AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5681832-A FOR TREATMENT OF VIRAL DISEASES BY SUPPRESSING REPLICATION OF RETROVIRUSES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-10-28 — — US disclosed
WO-1996025399-A1 NOVEL AROYLANILINE DERIVATIVES, COMPOSITIONS AND USES THEREOF IN THE TREATMENT OF VIRAL INFECTIONS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-08-22 — — WO disclosed
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