SCHEMBL9392011

SCHEMBL9392011

CCCCCCCCCCC(=O)CCCCCCCCCN1CN(C)c2c1n(C)c(=O)[nH]c2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ SQOR Q9Y6N5 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ HTT P42858 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ USP2 O75604 1/20 0.35

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
SCHEMBL8002920 0.87 — —
SCHEMBL9394694 0.86 PAOX (0.36) KMT2ACYP1A2CYP2C19SQORMEN1
SCHEMBL9116975 0.86 PAOX (0.36) KMT2ACYP1A2CYP2C19SQORMEN1
SCHEMBL6944697 0.86 MAPT (0.37) KMT2AMEN1GAAMAPK10CYP2C9
SCHEMBL1822007 0.85 PAOX (0.34) KMT2ACYP1A2CYP2C19MEN1GAA
SCHEMBL8802577 0.85 MAPK10 (0.38) KMT2ACYP1A2CYP2C19MEN1GAA
SCHEMBL8803670 0.84 TK1 (0.43) KMT2ACYP1A2CYP2C19MEN1GAA
SCHEMBL8644267 0.84 CYP2C19 (0.38) KMT2ACYP1A2CYP2C19SQORMEN1
SCHEMBL8651289 0.84 CYP2C19 (0.38) KMT2ACYP1A2CYP2C19SQORMEN1
SCHEMBL8952586 0.82 KDM4E (0.36) KMT2AMEN1GAAMAPK10CYP2C9

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-1994016704-A1 OXIME-SUBSTITUTED THERAPEUTIC COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-08-04 — — WO disclosed
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