SCHEMBL28179151

SCHEMBL28179151

O=Cc1cn(Cc2ccc(Cl)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
CYP2A6 P11509 2/20 0.45
CYP2B6 P20813 2/20 0.45
CYP19A1 P11511 1/20 0.45
PHF8 Q9UPP1 1/20 0.45
KDM4C Q9H3R0 2/20 0.40
HSD17B10 Q99714 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 2/20 0.37
KDM5B Q9UGL1 2/20 0.37
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL765397 0.85 KDM5B (0.48) CYP11B1CYP11B2CYP2A6CYP2B6CYP19A1
SCHEMBL3273177 0.85 CYP3A4 (0.50) CYP11B1CYP11B2CYP2A6CYP2B6CYP19A1
SCHEMBL28368152 0.83 CYP11B1 (0.51) CYP11B1CYP11B2CYP2A6CYP2B6PHF8
SCHEMBL8135616 0.81 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1
SCHEMBL17982242 0.81 CDK5 (0.53) CYP11B1CYP2A6CYP19A1KDM4CSMN1; SMN2
SCHEMBL28954209 0.80 HTT (0.46) HTTSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL3875434 0.77 ALDH1A1 (0.49) CYP11B2CYP19A1NPC1ALDH1A1RAB9A
SCHEMBL19609304 0.75 SMN1; SMN2 (0.48) CYP19A1HTTSMN1; SMN2NPC1ALDH1A1
SCHEMBL20678123 0.75 ALDH1A1 (0.34) HTTNPC1ALDH1A1RAB9ALMNA
SCHEMBL14316067 0.74

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-A Flavones glyoxaline compound and preparation method thereof 盐城师范学院 2017-09-29 CN disclosed