SCHEMBL8631369

SCHEMBL8631369

Cc1ncsc1C(C)(OC(C)(c1ccccc1)c1scnc1C)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
CHRM2 P08172 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL8687699 0.78 CYP3A4 (0.41) MAPK1SLC6A3KDM4EPKMALDH1A1
SCHEMBL8690000 0.71 KMT2A (0.39) MAPK1SLC6A3KDM4EPKMALDH1A1
SCHEMBL7129049 0.71 MAPK1 (0.55) MAPK1CHRM2ALDH1A1ALOX15KMT2A
SCHEMBL23618656 0.62 AKT1 (0.40) KDM4EALDH1A1ALOX15KMT2A
SCHEMBL9576890 0.62 MAPK1 (0.62) MAPK1CHRM2ALDH1A1ALOX15KMT2A
SCHEMBL679793 0.61 KDM4E (0.53) SLC6A3KDM4EPKMALDH1A1KMT2A
SCHEMBL664301 0.60 MAPK1 (0.52) MAPK1ALDH1A1ALOX15KMT2A
SCHEMBL3887648 0.60 MAPK1 (0.46) MAPK1CHRM2ALDH1A1ALOX15KMT2A
SCHEMBL14292070 0.60 MAPK1 (0.46) MAPK1CHRM2ALDH1A1ALOX15KMT2A
SCHEMBL22715431 0.60 KDM4E (0.36) KDM4EPKMALDH1A1KMT2A

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
US-5712299-A TREATMENT OF NEURODEGENERATIVE DISORDERS ASTRA AKTIEBOLAG (SE) 1998-01-27 US disclosed