SCHEMBL28368172

SCHEMBL28368172

O=CC1NCCN1Cc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2C9 P11712 1/20 0.51
SIGMAR1 Q99720 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
HTT P42858 2/20 0.42
GLA P06280 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD4 P21917 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 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
SCHEMBL27528660 0.86 CYP2C19 (0.54) MAPTCYP2C19SIGMAR1ALDH1A1GAA
SCHEMBL28364494 0.84 CYP2C19 (0.39) MAPTCYP2C19CYP2C9SIGMAR1KDM4E
SCHEMBL28368198 0.78 CYP2A13 (0.43) SIGMAR1TDP1KDM4EALDH1A1HTT
SCHEMBL28885101 0.77 ALDH1A1 (0.46) MAPTCYP2C19KDM4EALDH1A1KMT2A
SCHEMBL28368317 0.74 MAPT (0.46) MAPTCYP2C19CYP2C9SIGMAR1TDP1
SCHEMBL28368564 0.74 GAA (0.44) MAPTSIGMAR1KDM4EALDH1A1GAA
SCHEMBL28046393 0.73 SIGMAR1 (0.47) MAPTCYP2C19CYP2C9SIGMAR1TDP1
SCHEMBL28546647 0.70 HDAC8 (0.64) MAPTSIGMAR1KDM4EALDH1A1GAA
SCHEMBL30442828 0.70 HDAC8 (0.64) MAPTSIGMAR1KDM4EALDH1A1GAA
SCHEMBL28368556 0.70 SIGMAR1 (0.50) MAPTCYP2C19CYP2C9SIGMAR1KDM4E

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