SCHEMBL28368317

SCHEMBL28368317

O=CC1CNCN1Cc1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
CASP6 P55212 1/20 0.40
ATM Q13315 3/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL28364430 0.85 CYP2C19 (0.41) CYP2C19SIGMAR1KMT2AALDH1A1TDP1
SCHEMBL28365134 0.84 KDM4E (0.36) MAPTCYP2C9CYP2C19SIGMAR1KMT2A
SCHEMBL28367812 0.78 KDM4E (0.42) SIGMAR1KDM4EALDH1A1HTTTSHR
SCHEMBL28885078 0.77 ALDH1A1 (0.41) MAPTKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL28368172 0.74 MAPT (0.51) MAPTCYP2C9CYP2C19SIGMAR1KMT2A
SCHEMBL28364395 0.73 CMA1 (0.44) MAPTSIGMAR1KMT2AKDM4EALDH1A1
SCHEMBL28368556 0.71 SIGMAR1 (0.50) MAPTCYP2C9CYP2C19SIGMAR1KMT2A
SCHEMBL6645562 0.71 CYP2C19 (0.49) MAPTCYP2C9CYP2C19SIGMAR1KMT2A
SCHEMBL27684893 0.69 DRD2 (0.46) MAPTCYP2C9CYP2C19SIGMAR1KMT2A
SCHEMBL28546647 0.69 HDAC8 (0.64) MAPTSIGMAR1KDM4EALDH1A1GAA

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