SCHEMBL28377948

SCHEMBL28377948

COc1nccnc1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.39
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
APLNR P35414 1/20 0.32
BRD4 O60885 1/20 0.32
BRPF1 P55201 1/20 0.32
AURKA O14965 1/20 0.32
TTK P33981 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
SLC13A5 Q86YT5 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL607884 0.82 APLNR (0.40) APLNRAURKATTKAURKBINCENP
SCHEMBL8382615 0.76 LRRK2 (0.44) LRRK2TRPM8CDK1CCNB1CCNA2
SCHEMBL22234589 0.74 LRRK2 (0.43) LRRK2TRPM8CDK1CCNB1CCNA2
SCHEMBL17848977 0.74 LRRK2 (0.40) LRRK2TRPM8CDK1CCNB1CCNA2
SCHEMBL3514138 0.73 SLC6A2 (0.49) TRPM8APLNRBRD4BRPF1ALOX5AP
SCHEMBL111252 0.71 CYP2D6 (0.38) CDK1CCNB1APLNRAURKATTK
SCHEMBL29483319 0.71 CYP2D6 (0.38) CDK1CCNB1APLNRAURKATTK
SCHEMBL30610262 0.71 LRRK2 (0.38) LRRK2TRPM8CDK1CCNB1CCNA2
SCHEMBL16213745 0.70 LRRK2 (0.41) LRRK2TRPM8ALOX5APFEN1
SCHEMBL22613006 0.69 APLNR (0.36) LRRK2APLNRAURKATTKAURKB

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
CN-104886258-B Protein material used as cheese substitute DMK德意志牛奶股份有限公司 2020-03-10 CN disclosed