SCHEMBL28337113

SCHEMBL28337113

OB(O)c1cccc(-c2ccc3[nH]c4ccccc4c3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.56
AHR P35869 1/20 0.47
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.44
GPR3 P46089 1/20 0.44
PLG P00747 1/20 0.43
F12 P00748 1/20 0.43
F11 P03951 1/20 0.43
KLKB1 P03952 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
KIF11 P52732 5/20 0.41
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
CDK4 P11802 1/20 0.40
CCND1 P24385 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
SCHEMBL17690367 0.87 MGLL (0.50) MGLLAHRALDH1A1HSD17B10GPR3
SCHEMBL16394799 0.84 MGLL (0.55) MGLLAHRCDK4CCND1CA1
SCHEMBL802744 0.83 AHR (0.57) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL29362586 0.83 AHR (0.57) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL19500811 0.83 AHR (0.61) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL670060 0.81 AHR (0.70) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL16127349 0.81 AHR (0.70) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL29511649 0.81 AHR (0.70) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL29533063 0.81 AHR (0.70) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL21096036 0.80 AHR (0.57) AHRALDH1A1HSD17B10GPR3KIF11

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-110590770-B Triazolopyridine-based organic electroluminescent material and organic electroluminescent device 武汉尚赛光电科技有限公司 2020-12-25 CN disclosed
CN-110590770-A Triazolopyridine-based organic electroluminescent material and organic electroluminescent device 武汉尚赛光电科技有限公司 2019-12-20 CN disclosed