SCHEMBL28639501

SCHEMBL28639501

NC(c1ccccc1)n1c2ccccc2c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
F2 P00734 1/20 0.42
CYP19A1 P11511 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR3 P46089 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 2/20 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
SCHEMBL15615581 0.77 GPR3 (0.46) CYP19A1KDM4EATML3MBTL1GPR3
SCHEMBL15814556 0.74 TSHR (0.42) CYP19A1KDM4EATML3MBTL1GPR3
SCHEMBL27900581 0.74 MEN1 (0.49) KDM4EGPR3BCHEACHE
SCHEMBL3511145 0.73 GPR3 (0.48) KDM4EATML3MBTL1GPR3CYP1A2
SCHEMBL14948496 0.71 GPR3 (0.50) CYP19A1KDM4EATML3MBTL1GPR3
SCHEMBL32677323 0.69 KDM4E (0.38) CYP19A1KDM4EATML3MBTL1GPR3
SCHEMBL2311047 0.69 BRD4 (0.43) CYP19A1KDM4EATML3MBTL1CYP1A2
SCHEMBL9628823 0.69 SLC6A4 (0.39) DPP4F2KDM4EATML3MBTL1
SCHEMBL19537776 0.68 L3MBTL1 (0.61) DPP4F2KDM4EATML3MBTL1
SCHEMBL21931839 0.68 GPR3 (0.38) CYP19A1KDM4EATML3MBTL1GPR3

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-113444032-A Carbazole oxime ester compound, preparation method, composition and application 优禘股份有限公司 2021-09-28 CN disclosed