SCHEMBL10508205

SCHEMBL10508205

O=S(=O)(O)c1ccc2c(S(=O)(=O)O)c(O)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.54
HSD17B10 Q99714 4/20 0.53
CASP6 P55212 4/20 0.53
ALDH1A1 P00352 4/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 2/20 0.52
NSD2 O96028 3/20 0.50
DUSP3 P51452 2/20 0.50
PTPN5 P54829 2/20 0.50
PTPN11 Q06124 2/20 0.50
TSHR P16473 1/20 0.50
PTPRA P18433 1/20 0.50
PTPRB P23467 1/20 0.50
HIF1A Q16665 1/20 0.50
RAPGEF4 Q8WZA2 1/20 0.50
CASP7 P55210 1/20 0.47
PRMT1 Q99873 1/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL5892573 0.87 HSD17B10 (0.52) NT5EHSD17B10CASP6ALDH1A1CYP2C9
SCHEMBL3901952 0.85 ALDH1A1 (0.56) NT5EHSD17B10CASP6ALDH1A1CYP2C9
SCHEMBL3818496 0.84 ALDH1A1 (0.54) NT5EHSD17B10CASP6ALDH1A1CYP2C9
SCHEMBL3817948 0.84 ALDH1A1 (0.54) NT5EHSD17B10CASP6ALDH1A1CYP2C9
SCHEMBL31254162 0.84 CYP2C9 (0.57) NT5EHSD17B10CASP6ALDH1A1CYP2C9
SCHEMBL5049274 0.84 CYP2C9 (0.57) NT5EHSD17B10CASP6ALDH1A1CYP2C9
SCHEMBL9011319 0.84 MPL (0.51) NT5EHSD17B10CYP2C9CYP1A2HIF1A
SCHEMBL8728235 0.84 CYP2C9 (0.57) NT5EHSD17B10CASP6ALDH1A1CYP2C9
SCHEMBL3819438 0.84 ALDH1A1 (0.54) NT5EHSD17B10CASP6ALDH1A1CYP2C9
SCHEMBL31614976 0.84 NT5E (0.56) NT5EHSD17B10CASP6ALDH1A1CYP2C9

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
WO-2020142700-A1 BINDING DOMAIN MAPPING AND COMPOUNDS, COMPOSITIONS, COMPLEXES, METHODS, AND KITS RELATED THERETO George Mason Research Foundation, Inc. (US) 2020-07-09 WO disclosed
CN-102566269-B Coloured composition, colour filter and display element JSR株式会社 2016-06-15 CN disclosed
US-4859372-A Process for the sulphonation of aromatic compounds with sulphur trioxide BAYER AKTIENGESELLSCHAFT (DE) 1989-08-22 US disclosed
EP-0141928-B1 PROCESS FOR THE SULPHONATION OF AROMATIC COMPOUNDS WITH SULPHUR TRIOXIDE BAYER AG (DE) 1987-01-14 EP disclosed
EP-0141928-A1 Process for the sulphonation of aromatic compounds with sulphur trioxide BAYER AG (DE) 1985-05-22 EP disclosed
US-4163675-A CONTAINING NAPHTHALENE DERIVATIVES PILOT INK CO., LTD. (JP) 1979-08-07 US disclosed