SCHEMBL28368564

SCHEMBL28368564

COc1ccc(CN2CCNC2C=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
CMA1 P23946 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HRH2 P25021 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL27970980 0.84 HRH2 (0.43) GAASIGMAR1CMA1SMN1; SMN2HRH2
SCHEMBL28364494 0.82 CYP2C19 (0.39) SIGMAR1KDM4EMEN1ALDH1A1MAPT
SCHEMBL28885101 0.81 ALDH1A1 (0.46) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL27528660 0.81 CYP2C19 (0.54) GAASIGMAR1MEN1ALDH1A1MAPT
SCHEMBL28368172 0.74 MAPT (0.51) GAASIGMAR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL28364395 0.73 CMA1 (0.44) GAASIGMAR1CMA1HRH2KDM4E
SCHEMBL14844570 0.72 KDM4E (0.52) GAACMA1HRH2KDM4EGSK3A
SCHEMBL4771166 0.72 SIGMAR1 (0.58) SIGMAR1SMN1; SMN2HRH2
SCHEMBL27719979 0.72 SIGMAR1 (0.43) GAASIGMAR1CMA1SMN1; SMN2HRH2
SCHEMBL28496466 0.71 SIGMAR1 (0.56) SIGMAR1SMN1; SMN2MEN1ALDH1A1KMT2A

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-107216315-B Flavone imidazole compound and preparation method thereof 盐城师范学院 2020-03-17 CN disclosed