SCHEMBL11569245

SCHEMBL11569245

C#CCOC(=O)/C=C(/C)Nc1ccccc1SC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ POLB P06746 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPT P10636 6/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ TSHR P16473 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL10137023 0.81 POLB (0.54) SMN1; SMN2KDM4EPOLBLMNAGAA
SCHEMBL16202971 0.76 KMT2A (0.65) SMN1; SMN2KDM4EHPGDPOLBLMNA
SCHEMBL11723587 0.76 GAA (0.45) SMN1; SMN2KDM4EPOLBLMNAGAA
SCHEMBL11723616 0.76 GAA (0.45) SMN1; SMN2KDM4EPOLBLMNAGAA
SCHEMBL13846427 0.72 MAPT (0.56) SMN1; SMN2KDM4EHPGDPOLBLMNA
SCHEMBL17505927 0.69 GAA (0.55) SMN1; SMN2KDM4EHPGDLMNAGAA
SCHEMBL29058297 0.69 GAA (0.55) SMN1; SMN2KDM4EHPGDLMNAGAA
SCHEMBL17505924 0.69 GAA (0.55) SMN1; SMN2KDM4EHPGDLMNAGAA
SCHEMBL30532029 0.69 GAA (0.55) SMN1; SMN2KDM4EHPGDLMNAGAA
SCHEMBL4938228 0.68 KMT2A (0.62) SMN1; SMN2HPGDPOLBLMNAL3MBTL1

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-0002231-A1 1-N-aryl-1,4-dihydropyridines, process for their preparation and their pharmaceutical application BAYER AG (DE) 1979-06-13 — — EP disclosed
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