SCHEMBL14304391

SCHEMBL14304391

Cc1ccc(/C(O)=C(/C=N)C(=O)N2CCCCC2c2cccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 3/20 0.55
▸ WDR77 Q9BQA1 3/20 0.55
▸ PKM P14618 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ KMT2A Q03164 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ GPBAR1 Q8TDU6 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CHRNB2 P17787 1/20 0.46

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
SCHEMBL17888296 0.82 KDM4E (0.63) PRMT5WDR77PKMAPEX1CYP2C19
SCHEMBL17888397 0.79 ALDH1A1 (0.59) PRMT5WDR77PKMAPEX1CYP2C19
SCHEMBL13024504 0.75 CHRNB2 (0.63) PRMT5WDR77KMT2AKDM4EALDH1A1
SCHEMBL27603665 0.74 CHRNB2 (0.62) PRMT5WDR77CYP2C19KMT2AKDM4E
Oxalic Acid SCHEMBL1532842 0.74 ALDH1A1 (0.59) PRMT5WDR77CYP2C19BLMKMT2A
SCHEMBL31430919 0.72 CHRNB2 (0.59) PRMT5WDR77CYP2C19KMT2AKDM4E
SCHEMBL1962198 0.72 CHRNB2 (0.59) PRMT5WDR77CYP2C19KMT2AKDM4E
SCHEMBL18701778 0.72 RIPK1 (0.65) PRMT5WDR77KMT2AKDM4EALDH1A1
SCHEMBL21078063 0.72 ALDH1A1 (0.64) PRMT5WDR77KMT2AKDM4EALDH1A1
SCHEMBL5300891 0.72 LMNA (0.67) PRMT5WDR77KMT2AKDM4EALDH1A1

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-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 — — WO disclosed
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