SCHEMBL31469483

SCHEMBL31469483

O=C(CC(c1ccccc1)n1ncc(-c2ccccc2)n1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DAGLA Q9Y4D2 8/20 0.45
▸ DAGLB Q8NCG7 7/20 0.45
▸ DDHD2 O94830 1/20 0.43
▸ EPHX1 P07099 1/20 0.40
▸ SUCNR1 Q9BXA5 1/20 0.39
▸ FAAH O00519 3/20 0.38
▸ GCGR P47871 2/20 0.38
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL31469550 0.85 HPGD (0.41) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL31469546 0.84 HPGD (0.47) DAGLACYP1A2CYP2C9HPGDMAPK1
SCHEMBL31469561 0.83 PDPK1 (0.44) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL31469505 0.83 MAPT (0.45) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL31469551 0.83 HPGD (0.41) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL31469559 0.82 L3MBTL1 (0.51) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL31469542 0.81 HPGD (0.44) DAGLACYP1A2CYP2C9HPGDMAPK1
SCHEMBL31469464 0.81 MGAM (0.43) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL31469474 0.81 HPGD (0.44) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL31469570 0.81 HPGD (0.41) CYP1A2CYP2C9HPGDMAPK1CYP2C19

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-119490463-A Beta-triazole derivative and synthetic method and application thereof 华东师范大学 2025-02-21 — — CN disclosed
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