SCHEMBL7958705

SCHEMBL7958705

COc1cccc2c(C(SC)(c3ccccc3)c3ccccc3)coc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TBXA2R P21731 2/20 0.38
PTGIR P43119 2/20 0.38
KDM4E B2RXH2 4/20 0.37
MAOA P21397 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
PSMB8 P28062 1/20 0.36
PSMB5 P28074 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
CYP3A4 P08684 1/20 0.34
GSK3B P49841 2/20 0.33
KCNA5 P22460 2/20 0.32
KIF11 P52732 3/20 0.32

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
SCHEMBL7957984 0.81 TBXA2R (0.32) ALDH1A1TBXA2RPTGIRMAOAMAPT
SCHEMBL11740786 0.69 KDM4E (0.49) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL4138721 0.68 MEN1 (0.43) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL12330749 0.68 ALDH1A1 (0.54) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL20064626 0.66 ALDH1A1 (0.53) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL11637652 0.66 ALDH1A1 (0.53) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL7948373 0.65 ALDH1A1 (0.51) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL30937511 0.65 ALOX15 (0.54) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL27984738 0.65 ALOX15 (0.54) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL1126000 0.65 CA1 (0.44) ALDH1A1MEN1KMT2AKIF11CA12

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
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed