SCHEMBL11189718

SCHEMBL11189718

CC(C)NC(/C=C/c1ccco1)=N/C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 7/20 0.49
▸ CACNA1B Q00975 3/20 0.49
▸ APBA1 Q02410 3/20 0.49
▸ HCAR2 Q8TDS4 1/20 0.42
▸ ALDH1A1 P00352 9/20 0.41
▸ PKM P14618 6/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 4/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ MAPT P10636 6/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL11189723 1.00 POLB (0.49) POLBCACNA1BAPBA1HCAR2ALDH1A1
SCHEMBL11191468 1.00 POLB (0.49) POLBCACNA1BAPBA1HCAR2ALDH1A1
SCHEMBL11187303 0.81 ALDH1A1 (0.43) POLBCACNA1BAPBA1HCAR2ALDH1A1
SCHEMBL11187305 0.81 ALDH1A1 (0.43) POLBCACNA1BAPBA1HCAR2ALDH1A1
SCHEMBL11189071 0.79 POLB (0.52) POLBCACNA1BAPBA1HCAR2ALDH1A1
SCHEMBL11189072 0.79 POLB (0.52) POLBCACNA1BAPBA1HCAR2ALDH1A1
SCHEMBL11190319 0.78 ALDH1A1 (0.61) POLBHCAR2ALDH1A1KMT2AMEN1
SCHEMBL11190317 0.78 ALDH1A1 (0.61) POLBHCAR2ALDH1A1KMT2AMEN1
SCHEMBL11188856 0.77 SMN1; SMN2 (0.48) HCAR2ALDH1A1GLATDP1MAPT
SCHEMBL11188848 0.77 SMN1; SMN2 (0.48) HCAR2ALDH1A1GLATDP1MAPT

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-4407816-A ANTIULCER KOTOBUKI SEIYAKU COMPANY LIMITED (JP) 1983-10-04 — — US disclosed
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