SCHEMBL11427799

SCHEMBL11427799

CNc1ccc(C(=O)CC(C)=O)c(NC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.37
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HIF1A Q16665 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PRKCI P41743 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 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
SCHEMBL4209812 0.78 KDM4C (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL29400790 0.78 KDM4C (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL31152563 0.77 ALDH1A1 (0.40) POLBHTTALDH1A1KDM4EHIF1A
SCHEMBL11427052 0.77 KDM4E (0.56) POLBALDH1A1KDM4ECYP2C19KMT2A
SCHEMBL143496 0.77 ALDH1A1 (0.40) POLBHTTALDH1A1KDM4EHIF1A
SCHEMBL21751026 0.75 KDM4E (0.59) POLBALDH1A1KDM4EKMT2AMAPT
SCHEMBL28057743 0.73 CA12 (0.49) HTTALDH1A1KDM4EMEN1CYP1A2
SCHEMBL5158155 0.72 MAPT (0.49) HTTALDH1A1KDM4EMEN1CYP1A2
SCHEMBL9926579 0.72 ALDH1A1 (0.47) HTTALDH1A1KDM4EHIF1AMEN1
SCHEMBL27653744 0.70 KDM4E (0.35) POLBHTTALDH1A1KDM4EHIF1A

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
US-4220473-A WITH DIMER ACID-BASED AMINES SUN CHEMICAL CORPORATION (US) 1980-09-02 — — US disclosed
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