SCHEMBL9511337

SCHEMBL9511337

O=S(=O)(O)c1ccc(O)c2ncccc12.[Mo]

nearest known ligand 0.97

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
COMT P21964 6/20 0.97
FTO Q9C0B1 2/20 0.73
ALDH1A1 P00352 1/20 0.65
CYP1A2 P05177 1/20 0.65
ALOX15 P16050 1/20 0.65
HIF1A Q16665 1/20 0.65
HSD17B10 Q99714 1/20 0.65
MEN1 O00255 1/20 0.64
NSD2 O96028 1/20 0.64
POLB P06746 1/20 0.64
IDE P14735 1/20 0.64
DUSP3 P51452 1/20 0.64
CCR6 P51684 1/20 0.64
BLM P54132 1/20 0.64
KMT2A Q03164 1/20 0.64
KDM4E B2RXH2 4/20 0.61
GLO1 Q04760 1/20 0.53

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
SCHEMBL114961 0.98 COMT (1.00) COMTFTOALDH1A1CYP1A2ALOX15
SCHEMBL29456746 0.98 COMT (1.00) COMTFTOALDH1A1CYP1A2ALOX15
SCHEMBL7156190 0.97 COMT (0.97) COMTFTOALDH1A1CYP1A2ALOX15
Water SCHEMBL505393 0.97 COMT (0.97) COMTFTOALDH1A1CYP1A2ALOX15
SCHEMBL7151883 0.97 COMT (0.97) COMTFTOALDH1A1CYP1A2ALOX15
SCHEMBL9407080 0.97 COMT (0.97) COMTFTOALDH1A1CYP1A2ALOX15
Water SCHEMBL10628327 0.97 COMT (0.97) COMTFTOALDH1A1CYP1A2ALOX15
SCHEMBL8847297 0.97 COMT (0.97) COMTFTOALDH1A1CYP1A2ALOX15
SCHEMBL1873349 0.97 COMT (0.97) COMTFTOALDH1A1CYP1A2ALOX15
SCHEMBL10728563 0.97 COMT (0.97) COMTFTOALDH1A1CYP1A2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5148435-A None JP disclosed
JP-H05148435-A METHOD FOR ERASING ERASABLE WATER-SOLUBLE INK SCRIPT PENTEL KK 1993-06-15 JP disclosed