SCHEMBL8421926

SCHEMBL8421926

CC(=O)c1ccc(OCC#N)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ GAA P10253 1/20 0.59
▸ LMNA P02545 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ HPGD P15428 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ MAOB P27338 10/20 0.53
▸ MAOA P21397 2/20 0.50
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4119186 0.88 CA12 (0.55) MAPTALDH1A1L3MBTL1GAALMNA
SCHEMBL30172106 0.83 PKM (0.56) ALDH1A1L3MBTL1POLBRAB9ASMN1; SMN2
SCHEMBL9353433 0.83 L3MBTL1 (0.63) MAPTALDH1A1L3MBTL1GAALMNA
SCHEMBL1249230 0.82 MAPT (0.66) MAPTL3MBTL1GAALMNAPOLB
SCHEMBL27316975 0.81 PARP10 (0.59) ALDH1A1MAOB
SCHEMBL10704889 0.81 MAPT (0.44) MAPTALDH1A1L3MBTL1GAALMNA
SCHEMBL9155792 0.81 L3MBTL1 (0.61) MAPTALDH1A1L3MBTL1GAALMNA
SCHEMBL4754075 0.81 PLK1 (0.65) MAPTALDH1A1HPGDRAB9AHTT
SCHEMBL29241080 0.81 MAOB (0.60) MAOBMAOASMN1; SMN2
SCHEMBL17099938 0.80 PARP10 (0.58) ALDH1A1MAOB

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-0947494-A1 Derivatives of phenoxy acetic acid and phenoxymethyltetrazole having antitumor activity F. HOFFMANN-LA ROCHE AG (CH) 1999-10-06 — — EP disclosed
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