SCHEMBL6828228

SCHEMBL6828228

CC(C)Oc1nc(OCC(F)(F)F)nc(OC(C)C)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 2/20 0.31
MAPT P10636 1/20 0.31
PTGS2 P35354 2/20 0.31
PTGS1 P23219 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
CYP3A4 P08684 1/20 0.30
TRPV3 Q8NET8 1/20 0.30

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
SCHEMBL6335208 0.94 MEN1 (0.40) CYP1A2CYP2C19MEN1KMT2ACCNA2
SCHEMBL6333897 0.83 MEN1 (0.40) CYP1A2CYP2C19MEN1KMT2ALMNA
SCHEMBL6335444 0.76 CCNA2 (0.39) CYP1A2CYP2C19MEN1KMT2ACCNA2
SCHEMBL6403920 0.75 CCNA2 (0.37) CCNA2CDK2CCNA1
SCHEMBL6826896 0.75 CCNA2 (0.45) CYP1A2CYP2C19MEN1KMT2ACCNA2
SCHEMBL6335754 0.74 CNR2 (0.32) CYP1A2CYP2C19MEN1KMT2APTGS2
SCHEMBL6828252 0.74 CCNA2 (0.40) CYP1A2CYP2C19CCNA2CDK2CCNA1
SCHEMBL6336334 0.74 MEN1 (0.38) CYP1A2CYP2C19MEN1KMT2ALMNA
SCHEMBL6335241 0.74 MEN1 (0.35) CYP1A2CYP2C19MEN1KMT2ACCNA2
SCHEMBL6341505 0.72 CCNA2 (0.43) CYP1A2CYP2C19CCNA2CDK2CCNA1

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-2004111000-A2 PIPERIDYL DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2004-12-23 WO disclosed