SCHEMBL5323630

SCHEMBL5323630

CCN(CC)C(=O)C(C#N)=Cc1cc(OC(=O)OC)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 7/20 0.71
▸ COMT P21964 5/20 0.71
▸ MEN1 O00255 2/20 0.71
▸ KMT2A Q03164 2/20 0.71
▸ ABCC3 O15438 1/20 0.71
▸ ABCC4 O15439 1/20 0.71
▸ ABCB11 O95342 1/20 0.71
▸ LMNA P02545 1/20 0.71
▸ CYP2C9 P11712 1/20 0.71
▸ GPR35 Q9HC97 1/20 0.71
▸ EGFR P00533 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ HTT P42858 1/20 0.43

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
SCHEMBL5323628 1.00 FTO (0.71) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4933461 0.95 FTO (0.75) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4935225 0.92 FTO (0.63) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4935219 0.92 FTO (0.63) FTOCOMTMEN1KMT2AABCC3
SCHEMBL5324828 0.92 FTO (0.67) FTOCOMTMEN1KMT2AABCC3
SCHEMBL5324825 0.92 FTO (0.67) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4941101 0.91 FTO (0.70) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4941097 0.91 FTO (0.70) FTOCOMTMEN1KMT2AABCC3
SCHEMBL5330052 0.91 FTO (0.70) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4935187 0.91 FTO (0.62) FTOCOMTMEN1KMT2AABCC3

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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