SCHEMBL10705698

SCHEMBL10705698

O=C1OC(=O)c2cc(S)ccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
ALOX15 P16050 1/20 0.52
ALDH1A1 P00352 4/20 0.48
TYMS P04818 3/20 0.38
CA12 O43570 4/20 0.36
CA7 P43166 4/20 0.36
CA1 P00915 3/20 0.36
CA4 P22748 2/20 0.36
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL28814938 0.76 TDP1 (0.52) TDP1ALOX15ALDH1A1TYMSCA12
SCHEMBL9644561 0.76 MAOA (0.36) TDP1ALOX15ALDH1A1CA12CA7
SCHEMBL169305 0.75 ALOX15 (0.57) TDP1ALOX15ALDH1A1TYMSCA12
SCHEMBL29359977 0.75 ALOX15 (0.57) TDP1ALOX15ALDH1A1TYMSCA12
SCHEMBL29423347 0.75 ALOX15 (0.57) TDP1ALOX15ALDH1A1TYMSCA12
SCHEMBL741462 0.75 ALOX15 (0.57) TDP1ALOX15ALDH1A1TYMSCA12
SCHEMBL29358248 0.75 ALOX15 (0.57) TDP1ALOX15ALDH1A1TYMSCA12
SCHEMBL17192488 0.73 ALOX15 (0.55) TDP1ALOX15ALDH1A1TYMSCA12
SCHEMBL15641977 0.73 ALOX15 (0.55) TDP1ALOX15ALDH1A1TYMSCA12
SCHEMBL308376 0.73 ALOX15 (0.55) TDP1ALOX15ALDH1A1TYMSCA12

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
WO-2023074680-A1 CONDUCTIVE RESIN COMPOSITION サカタインクス株式会社 2023-05-04 WO disclosed
US-8299240-B2 Method of producing a metal phthalocyanine compound, and method of producing a phthalocyanine compound and an analogue thereof FUJIFILM CORPORATION (JP) 2012-10-30 US disclosed
US-20090247742-A1 METHOD OF PRODUCING A METAL PHTHALOCYANINE COMPOUND, AND METHOD OF PRODUCING A PHTHALOCYANINE COMPOUND AND AN ANALOGUE THEREOF FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
EP-0108682-B1 SOLVENT FREE PREPARATION OF DIARYLTHIOETHERS GENERAL ELECTRIC COMPANY (US) 1988-01-27 EP disclosed
EP-0108682-A1 Solvent free preparation of diarylthioethers GENERAL ELECTRIC COMPANY (US) 1984-05-16 EP disclosed