SCHEMBL8516633

SCHEMBL8516633

Cc1ccc(S(=O)(=O)O)c(O)c1-c1c(O)ccc(S(=O)(=O)O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.44
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 4/20 0.36
RPS6KA3 P51812 1/20 0.35
GLO1 Q04760 1/20 0.35
HSD17B10 Q99714 2/20 0.34
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34
COMT P21964 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
GAA P10253 3/20 0.33
PKM P14618 1/20 0.33
BRD4 O60885 2/20 0.33
TP53 P04637 1/20 0.33
CREBBP Q92793 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
SCHEMBL8517009 0.88 NQO1 (0.41) NQO1MEN1KMT2AALDH1A1GLO1
SCHEMBL8517228 0.88 NQO1 (0.41) NQO1MEN1KMT2AALDH1A1RPS6KA3
SCHEMBL8516702 0.83 ELANE (0.44) NQO1MEN1KMT2AALDH1A1HSD17B10
SCHEMBL8517037 0.83 AURKA (0.44) NQO1MEN1KMT2AALDH1A1HSD17B10
SCHEMBL8516436 0.83 NQO1 (0.48) NQO1MEN1KMT2AALDH1A1RPS6KA3
SCHEMBL8516783 0.80 NQO1 (0.35) NQO1KMT2AALDH1A1GLO1MAPT
SCHEMBL8516847 0.80 ESR1 (0.35) NQO1MEN1KMT2AALDH1A1GLO1
SCHEMBL8516707 0.79 TYR (0.39) NQO1MEN1KMT2AALDH1A1GLO1
SCHEMBL8516648 0.78 TYR (0.38) NQO1ALDH1A1HSD17B10ELANEHPGD
SCHEMBL2227316 0.76 MEN1 (0.41) MEN1KMT2AALDH1A1RPS6KA3HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714785-B1 Sulfonated phenol (salt) containing color-developing agents and color-developing sheets MITSUI CHEMICALS INC (JP) 1999-01-07 EP disclosed
US-5647896-A MULTIVALENT SALT OF A SALICYLIC ACID DERIVATIVE, SULFONATED PHENOL MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-15 US disclosed
EP-0714785-A1 Sulfonated phenol (salt) containing color-developing agents and color-developing sheets MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-06-05 EP disclosed