SCHEMBL9150239

SCHEMBL9150239

O=S(=O)(O)c1cc(S(=O)(=O)O)c(O)c(Cl)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.42
CASP1 P29466 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CASP7 P55210 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NSD2 O96028 1/20 0.41
MMP14 P50281 1/20 0.41
CASP6 P55212 1/20 0.41
PGAM1 P18669 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
NQO1 P15559 1/20 0.37
ING2 Q9H160 1/20 0.37
HPGD P15428 4/20 0.36
TSHR P16473 2/20 0.36
CA4 P22748 1/20 0.35
CASR P41180 4/20 0.35
MAPK1 P28482 2/20 0.33
BRD4 O60885 1/20 0.33
MPL P40238 1/20 0.33

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
SCHEMBL28650613 0.89 HSD17B10 (0.44) HSD17B10CASP1ALDH1A1CASP7TDP1
SCHEMBL842154 0.86 PGAM1 (0.42) HSD17B10CASP1ALDH1A1CASP7TDP1
SCHEMBL843141 0.84 PGAM1 (0.41) HSD17B10CASP1ALDH1A1CASP7TDP1
SCHEMBL1224928 0.81 PGAM1 (0.53) HSD17B10CASP1ALDH1A1CASP7TDP1
SCHEMBL31251954 0.79 HSD17B10 (0.48) HSD17B10CASP1ALDH1A1CASP7TDP1
SCHEMBL27639479 0.79 HSD17B10 (0.48) HSD17B10CASP1ALDH1A1CASP7TDP1
SCHEMBL28145555 0.79 PGAM1 (0.52) HSD17B10CASP1ALDH1A1CASP7TDP1
SCHEMBL28146678 0.79 PGAM1 (0.52) HSD17B10CASP1ALDH1A1CASP7TDP1
SCHEMBL11100105 0.79 CA1 (0.43) HSD17B10CASP1ALDH1A1CASP7TDP1
SCHEMBL9551117 0.79 HSD17B10 (0.39) HSD17B10CASP1ALDH1A1CASP7TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5410083-A Synthesis of diaminoresorcinal from resorcinol THE DOW CHEMICAL COMPANY (US) 1995-04-25 US disclosed
US-5371291-A Blocking, halogenating, removal the blocking, concurrent nitrating and hydrogenating THE DOW CHEMICAL COMPANY (US) 1994-12-06 US disclosed
EP-0146923-B1 PREPARATION OF HALOGENATED PHENOLS FIDIA S.p.A. (IT) 1991-07-10 EP disclosed
US-4704469-A Preparation of halogenated phenols FIDIA S.P.A. (IT) 1987-11-03 US disclosed
EP-0146923-A1 Preparation of halogenated phenols FIDIA S.p.A. (IT) 1985-07-03 EP disclosed