SCHEMBL27746205

SCHEMBL27746205

C=CC=CC(=O)Nc1ccccc1CN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ PKM P14618 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 2/20 0.40
▸ LMNA P02545 4/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MMP1 P03956 5/20 0.38
▸ MMP2 P08253 5/20 0.38
▸ MMP9 P14780 5/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ NLRP1 Q9C000 1/20 0.37
▸ EGFR P00533 4/20 0.37
▸ CYSLTR2 Q9NS75 1/20 0.37
▸ CYSLTR1 Q9Y271 1/20 0.37

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
SCHEMBL15938830 0.84 TGM2 (0.50) MAPTKDM4EPKMALDH1A1HPGD
SCHEMBL27523895 0.81 ALDH1A1 (0.57) MAPTKDM4EPKMALDH1A1HPGD
SCHEMBL27523893 0.81 KDM4E (0.63) MAPTKDM4EPKMALDH1A1HPGD
SCHEMBL27698379 0.75 ALDH1A1 (0.42) MAPTALDH1A1HPGDHTTGAA
SCHEMBL27792212 0.75 HPGD (0.54) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL27483868 0.75 GAA (0.50) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL27905665 0.75 HTT (0.51) MAPTKDM4EPKMALDH1A1HPGD
SCHEMBL29907228 0.74 KDM4E (0.48) MAPTKDM4EPKMALDH1A1HPGD
SCHEMBL3635005 0.73 ALDH1A1 (0.47) MAPTALDH1A1HPGDLMNAHTT
SCHEMBL27666297 0.73 ALDH1A1 (0.43) MAPTALDH1A1HPGDHTTGAA

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
CN-101489989-A Pentadiene amide derivative KYOWA HAKKO KIRIN CO LTD (JP) 2009-07-22 — — CN disclosed
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