SCHEMBL31469469

SCHEMBL31469469

O=C(CC(c1ccccc1)n1ncc(-c2ccccc2)n1)c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MGAM O43451 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ SI P14410 2/20 0.39
▸ MGAM2 Q2M2H8 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ AMY1A P0DUB6 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GLA P06280 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
SCHEMBL31469551 0.88 HPGD (0.41) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL31469546 0.86 HPGD (0.47) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL31469542 0.84 HPGD (0.44) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL31469464 0.83 MGAM (0.43) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL31469473 0.83 CYP1A2 (0.42) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL31469541 0.82 CYP1A2 (0.38) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL31469534 0.81 CYP2C9 (0.41) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL31469505 0.81 MAPT (0.45) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL31469550 0.81 HPGD (0.41) CYP1A2CYP2C9HPGDMAPK1CYP2C19
SCHEMBL31469501 0.81 SRC (0.43) 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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