SCHEMBL10693393

SCHEMBL10693393

O=S(=O)(c1ccccc1)c1ccc(O)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.63
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
GFER P55789 1/20 0.58
IDO1 P14902 1/20 0.50
HTR6 P50406 6/20 0.49
HKDC1 Q2TB90 2/20 0.49
CDK2 P24941 1/20 0.48
COMT P21964 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
ALPL P05186 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
DNMT1 P26358 1/20 0.47
MCL1 Q07820 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TNNI3 P19429 1/20 0.46
TNNT2 P45379 1/20 0.46
TNNC1 P63316 1/20 0.46

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
SCHEMBL4593546 0.89 LDHA (0.59) LDHAPOLBGAAGFERIDO1
SCHEMBL7085229 0.88 LDHA (0.73) LDHAIDO1HKDC1CDK2COMT
SCHEMBL30999723 0.88 HTR6 (0.62) POLBGAAGFERHTR6
SCHEMBL7545258 0.87 LDHA (0.53) LDHAPOLBGAAGFERHTR6
SCHEMBL7198914 0.83 LDHA (0.53) LDHAPOLBGAAGFERIDO1
SCHEMBL14030697 0.82 GAA (0.60) LDHAPOLBGAAGFERHKDC1
SCHEMBL7196563 0.81 LDHA (0.63) LDHAPOLBGAAGFERIDO1
SCHEMBL565346 0.80 LDHA (0.68) LDHAIDO1HKDC1CDK2COMT
Formaldehyde SCHEMBL15348636 0.80 HKDC1 (0.50) LDHAPOLBGAAGFERHTR6
SCHEMBL17962369 0.79 COMT (0.77) COMTL3MBTL1

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
EP-0252691-A2 Heat-sensitive record material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1988-01-13 EP disclosed