SCHEMBL6828252

SCHEMBL6828252

COc1nc(C(F)(F)F)nc(OC(C)C)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6826015 0.86 CCNA2 (0.40) CCNA2CDK2CCNA1CYP1A2MAPT
SCHEMBL6335208 0.81 MEN1 (0.40) CCNA2CDK2CCNA1CYP1A2CYP2C19
SCHEMBL6341505 0.80 CCNA2 (0.43) CCNA2CDK2CCNA1CYP1A2MAPT
SCHEMBL6826896 0.76 CCNA2 (0.45) CCNA2CDK2CCNA1CYP1A2MAPT
SCHEMBL6344162 0.76 CCNA2 (0.39) CCNA2CDK2CCNA1CYP1A2MAPT
SCHEMBL6823841 0.76 CDK2 (0.40) CCNA2CDK2CCNA1CYP1A2MAPT
SCHEMBL6828228 0.74 CYP1A2 (0.43) CCNA2CDK2CCNA1CYP1A2MAPT
SCHEMBL5321153 0.74 CCNA2 (0.39) CCNA2CDK2CCNA1CYP1A2MAPT
SCHEMBL6918243 0.74 CCNA2 (0.39) CCNA2CDK2CCNA1CYP1A2MAPT
SCHEMBL6335444 0.74 CCNA2 (0.39) CCNA2CDK2CCNA1CYP1A2MAPT

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