SCHEMBL10702193

SCHEMBL10702193

COc1cc2c(c(OC)c1)SCCCN2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD1 Q15139 2/20 0.43
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RYR2 Q92736 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL8853204 0.73 SMN1; SMN2 (0.43) KMT2ALMNAACHEALDH1A1SMN1; SMN2
SCHEMBL30423867 0.71 RYR2 (0.50) PRKD1MEN1KMT2ARYR2KCNH2
SCHEMBL6646783 0.68 ALDH1A1 (0.37) MEN1KMT2AALDH1A1CYP3A4CA1
SCHEMBL11701223 0.66 PARP1 (0.40) MEN1KMT2AACHEALDH1A1CYP3A4
SCHEMBL11268037 0.65 PDE3B (0.43) PRKD1MEN1KMT2ARYR2KCNH2
Hydrochloric Acid SCHEMBL11273962 0.64 PDE3B (0.42) PRKD1MEN1KMT2ARYR2KCNH2
SCHEMBL1395133 0.64 HRH3 (0.52) CDK1MAPKAPK2ACHE
SCHEMBL30471897 0.64 HRH3 (0.52) CDK1MAPKAPK2ACHE
SCHEMBL10912768 0.62 MAPT (0.45) MEN1KMT2ALMNAALDH1A1CYP3A4
SCHEMBL25390183 0.62 PARP1 (0.40) CDK1MAPKAPK2ALDH1A1CA1CA2

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
EP-0292824-A1 Process for the nuclear chlorination of aromatic hydrocarbons BAYER AG (DE) 1988-11-30 — — EP disclosed
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