SCHEMBL14345722

SCHEMBL14345722

CCCC(OC(=O)Oc1cc(/C=C(\C#N)C(=O)N(CC)CC)cc([N+](=O)[O-])c1N=O)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 4/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ COMT P21964 2/20 0.50
▸ ABCC3 O15438 1/20 0.50
▸ ABCC4 O15439 1/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ GPR35 Q9HC97 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ EGFR P00533 3/20 0.36
▸ MITF O75030 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PKM P14618 1/20 0.32

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
SCHEMBL4940625 0.90 FTO (0.59) FTOKMT2ALMNAMEN1COMT
SCHEMBL4940629 0.90 FTO (0.59) FTOKMT2ALMNAMEN1COMT
SCHEMBL4941301 0.83 FTO (0.59) FTOKMT2ALMNAMEN1COMT
SCHEMBL4941295 0.83 FTO (0.59) FTOKMT2ALMNAMEN1COMT
SCHEMBL4936915 0.81 FTO (0.58) FTOKMT2ALMNAMEN1COMT
SCHEMBL4940978 0.79 FTO (0.62) FTOKMT2ALMNAMEN1COMT
SCHEMBL4940970 0.79 FTO (0.62) FTOKMT2ALMNAMEN1COMT
SCHEMBL4938761 0.78 FTO (0.63) FTOKMT2ALMNAMEN1COMT
SCHEMBL4938752 0.78 FTO (0.63) FTOKMT2ALMNAMEN1COMT
SCHEMBL4935232 0.78 FTO (0.60) FTOKMT2ALMNAMEN1COMT

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
WO-2007144169-A2 ENTACAPONE-DERIVATIVES SCHWARZ PHARMA AG (DE) 2007-12-21 — — WO disclosed
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