SCHEMBL7548035

SCHEMBL7548035

COc1ccc(CS)c2c1C=CCC2

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL8670294 0.81 KDM4E (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7543660 0.76 KDM4E (0.39) KDM4EALDH1A1GAAHPGD
SCHEMBL7544301 0.76 KDM4E (0.46) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7548030 0.72 ALDH1A1 (0.32) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7543632 0.69 TDP1 (0.33) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8908569 0.66 ADRA1A (0.42) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7547552 0.66 ALDH1A1 (0.33) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8729417 0.65 ACHE (0.45)
SCHEMBL7543022 0.64 ADRA1A (0.71)
Methylamine SCHEMBL27788846 0.64 ADRA1A (0.44) KDM4EALDH1A1GLAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883599-B1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ASTRAZENECA AB (SE) 2002-06-05 EP disclosed
EP-0883599-A1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ZENECA LIMITED (GB) 1998-12-16 EP disclosed
US-5807897-A MUSCULAR DISORDERS ZENECA LIMITED (GB) 1998-09-15 US disclosed
WO-1997031887-A1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ZENECA LIMITED (GB) 1997-09-04 WO disclosed