SCHEMBL7548030

SCHEMBL7548030

COc1ccc(C=S)c2c1C=CCC2

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
FDPS P14324 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL7547552 0.88 ALDH1A1 (0.33) ALDH1A1POLBMAPTKMT2AFDPS
SCHEMBL8670294 0.81 KDM4E (0.40) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL7544301 0.76 KDM4E (0.46) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL7543660 0.73 KDM4E (0.39) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL7548035 0.72 ADORA3 (0.31) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL7543629 0.69 KMT2A (0.37) ALDH1A1POLBMAPTKMT2AKDM4E
SCHEMBL8908569 0.66 ADRA1A (0.42) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL13497561 0.65 PDE4B (0.36) ALDH1A1POLBMAPTKDM4E
SCHEMBL8729417 0.65 ACHE (0.45)
SCHEMBL7543018 0.64 ADRA1A (0.71)

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