SCHEMBL3901952

SCHEMBL3901952

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CASP6 P55212 4/20 0.56
CYP2C9 P11712 3/20 0.56
HSD17B10 Q99714 3/20 0.56
CYP2C19 P33261 2/20 0.56
NT5E P21589 2/20 0.49
NSD2 O96028 3/20 0.45
SNCA P37840 2/20 0.45
DUSP3 P51452 2/20 0.45
PTPN5 P54829 2/20 0.45
PTPN11 Q06124 2/20 0.45
CYP1A2 P05177 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 3/20 0.43
TSHR P16473 1/20 0.43
PTPRA P18433 1/20 0.43
PTPRB P23467 1/20 0.43

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
SCHEMBL3818496 0.98 ALDH1A1 (0.54) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL3819438 0.98 ALDH1A1 (0.54) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL3817948 0.98 ALDH1A1 (0.54) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL27999033 0.89 ALDH1A1 (0.56) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL10508205 0.85 NT5E (0.54) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL11518386 0.85 ALDH1A1 (0.49) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL1755142 0.84 HSD17B10 (0.65) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL7130924 0.84 ALDH1A1 (0.51) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL28065905 0.83 ALDH1A1 (0.54) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19
SCHEMBL9350146 0.82 ALDH1A1 (0.52) ALDH1A1CASP6CYP2C9HSD17B10CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639073-A1 BIOLOGICALLY ACTIVE UREIDO DERIVATIVES USEFUL AS ANTIMETASTATIC AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1995-02-22 EP claimed
WO-1994020095-A1 BIOLOGICALLY ACTIVE UREIDO DERIVATIVES USEFUL AS ANTIMETASTATIC AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1994-09-15 WO claimed
CN-104238267-A Coloring combination for color filter and color filter TOYO INK SC HOLDINGS CO LTD 2014-12-24 CN disclosed
EP-2053098-B1 Ink composition, ink cartridge, inkjet recording method, and recorded matter SEIKO EPSON CORP (JP) 2014-01-22 EP disclosed
EP-2053098-A1 Ink composition, ink cartridge, inkjet recording method, and recorded matter SEIKO EPSON CORPORATION (JP) 2009-04-29 EP disclosed
EP-1700889-B1 Ink composition, ink cartridge, inkjet recording method, and recorded matter SEIKO EPSON CORP (JP) 2009-03-11 EP disclosed
US-7279034-B2 Containing water, a phthalocyanine-based cyan dye, and a lithium salt of a benzene or naphthalene mono- or polysulfonic acid; increased indoor storage stability of images produced without causing any additive precipitation or bronzing SEIKO EPSON CORPORATION (JP) 2007-10-09 US disclosed
US-20060203059-A1 Ink composition, ink cartridge, inkjet recording method, and recorded matter SEIKO EPSON CORPORATION 2006-09-14 US disclosed
WO-2001034596-A2 PYRROLECARBONYLIMINO DERIVATIVES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2001-05-17 WO disclosed
US-6121320-A SYNERGISTIC MIXTURE WITH RETINOIC ACID THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2000-09-19 US disclosed
EP-0639073-A1 BIOLOGICALLY ACTIVE UREIDO DERIVATIVES USEFUL AS ANTIMETASTATIC AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1995-02-22 EP disclosed
WO-1994020095-A1 BIOLOGICALLY ACTIVE UREIDO DERIVATIVES USEFUL AS ANTIMETASTATIC AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1994-09-15 WO disclosed
US-4387059-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1983-06-07 US disclosed
US-4387059-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1983-06-07 US disclosed
US-4387059-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1983-06-07 US disclosed
US-4108890-A Nitro or amino phenylenebis(carbonylimino)dinaphthalenetrisulfonic compounds as complement inhibitors AMERICAN CYANAMID COMPANY (US) 1978-08-22 US disclosed
US-4051176-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1977-09-27 US disclosed