SCHEMBL7758395

SCHEMBL7758395

Cc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 3/20 0.62
▸ PTPN1 P18031 2/20 0.50
▸ PRMT1 Q99873 2/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ CYP2C9 P11712 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ NSD2 O96028 3/20 0.45
▸ CASP6 P55212 3/20 0.45
▸ DUSP3 P51452 2/20 0.45
▸ PTPN5 P54829 2/20 0.45
▸ PTPN11 Q06124 2/20 0.45
▸ CYP1A2 P05177 4/20 0.40
▸ SNCA P37840 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ DNASE1L3 Q13609 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ ING2 Q9H160 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
SCHEMBL9776639 0.88 NT5E (0.63) NT5EPTPN1PRMT1APEX1CYP2C9
SCHEMBL9776549 0.87 NT5E (0.53) NT5EPTPN1PRMT1APEX1CYP2C9
SCHEMBL11502500 0.86 NT5E (0.74) NT5EPTPN1PRMT1APEX1CYP2C9
SCHEMBL29429654 0.86 NT5E (0.74) NT5EPTPN1PRMT1APEX1CYP2C9
SCHEMBL66310 0.86 NT5E (0.74) NT5EPTPN1PRMT1APEX1CYP2C9
SCHEMBL564558 0.86 NT5E (0.74) NT5EPTPN1PRMT1APEX1CYP2C9
Water SCHEMBL11045842 0.84 NT5E (0.71) NT5EPTPN1PRMT1APEX1CYP2C9
SCHEMBL564556 0.84 NT5E (0.71) NT5EPTPN1PRMT1APEX1CYP2C9
Sulfuric Acid SCHEMBL9775004 0.84 NT5E (0.71) NT5EPTPN1PRMT1APEX1CYP2C9
SCHEMBL9805944 0.84 NT5E (0.71) NT5EPTPN1PRMT1APEX1CYP2C9

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
WO-2016174648-A1 UREA PEARLS COMBINED WITH ALDIMINES, METHOD FOR PRODUCING SAME AND USES THEREOF IN AGRICULTURE, AND USES OF ALDIMINES FOR THE TREATMENT OF BACTERIAL INFECTIONS UNIVERSIDADE FEDERAL DE MINAS GERAIS - UFMG (BR) 2016-11-03 — — WO disclosed
WO-2013091062-A2 ALDIMINE-DERIVED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE UNIVERSIDADE FEDERAL DE MINAS GERAIS - UFMG (BR) 2013-06-27 — — WO disclosed
EP-1086180-A1 TRISAZO AND POLYAZO DYES AND THE MIXTURES THEREOF BASF AKTIENGESELLSCHAFT (DE) 2001-03-28 — — EP disclosed
WO-1999064520-A1 TRISAZO AND POLYAZO DYES AND THE MIXTURES THEREOF BASF AKTIENGESELLSCHAFT (DE) 1999-12-16 — — WO disclosed
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