SCHEMBL16286113

SCHEMBL16286113

O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2O)c2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.76
LMNA P02545 4/20 0.76
KMT2A Q03164 4/20 0.76
CYP1A2 P05177 1/20 0.76
CYP2C9 P11712 1/20 0.76
HIF1A Q16665 1/20 0.76
TDP1 Q9NUW8 4/20 0.53
PTPN11 Q06124 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 1/20 0.53
CDK2 P24941 1/20 0.48
MAPT P10636 4/20 0.41
TYMS P04818 2/20 0.41
GPR55 Q9Y2T6 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ESR1 P03372 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL16285462 0.92 MEN1 (0.66) MEN1LMNAKMT2ACYP1A2CYP2C9
Phenolsulfonphthalein SCHEMBL17836 0.87 MEN1 (1.00) MEN1LMNAKMT2ACYP1A2CYP2C9
Phenolsulfonphthalein SCHEMBL29357178 0.87 MEN1 (1.00) MEN1LMNAKMT2ACYP1A2CYP2C9
Phenolsulfonphthalein SCHEMBL1157401 0.86 MEN1 (0.97) MEN1LMNAKMT2ACYP1A2CYP2C9
SCHEMBL19774158 0.82 LMNA (0.64) MEN1LMNAKMT2ACYP1A2CYP2C9
SCHEMBL19697615 0.81 MEN1 (0.75) MEN1LMNAKMT2ACYP1A2CYP2C9
SCHEMBL14905228 0.81 MEN1 (0.75) MEN1LMNAKMT2ACYP1A2CYP2C9
SCHEMBL16303120 0.81 MEN1 (0.75) MEN1LMNAKMT2ACYP1A2CYP2C9
SCHEMBL16582907 0.80 MEN1 (0.59) MEN1LMNAKMT2ACYP1A2CYP2C9
Phenolsulfonphthalein SCHEMBL29368063 0.80 MEN1 (0.83) MEN1LMNAKMT2ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140363955-A1 UNDERLAYER FILM-FORMING COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-12-11 US disclosed