SCHEMBL5329070

SCHEMBL5329070

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 7/20 0.62
▸ COMT P21964 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ ABCC3 O15438 1/20 0.62
▸ ABCC4 O15439 1/20 0.62
▸ ABCB11 O95342 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ GPR35 Q9HC97 1/20 0.62
▸ EGFR P00533 3/20 0.48
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ MITF O75030 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5329066 1.00 FTO (0.62) FTOCOMTMEN1KMT2ALMNA
SCHEMBL4939490 0.99 FTO (0.61) FTOCOMTMEN1KMT2ALMNA
SCHEMBL5329487 0.92 FTO (0.59) FTOCOMTMEN1KMT2ALMNA
SCHEMBL5329471 0.92 FTO (0.59) FTOCOMTMEN1KMT2ALMNA
SCHEMBL4934079 0.91 FTO (0.58) FTOCOMTMEN1KMT2ALMNA
SCHEMBL12950030 0.90 FTO (0.71) FTOCOMTMEN1KMT2ALMNA
SCHEMBL5323628 0.90 FTO (0.71) FTOCOMTMEN1KMT2ALMNA
SCHEMBL5323630 0.90 FTO (0.71) FTOCOMTMEN1KMT2ALMNA
SCHEMBL5325767 0.90 FTO (0.57) FTOCOMTMEN1KMT2ALMNA
SCHEMBL5325763 0.90 FTO (0.57) FTOCOMTMEN1KMT2ALMNA

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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