SCHEMBL31469551

SCHEMBL31469551

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CYP24A1 Q07973 1/20 0.39
▸ KMT2A Q03164 5/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HAO1 Q9UJM8 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ MCL1 Q07820 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL31469546 0.89 HPGD (0.47) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL31469505 0.88 MAPT (0.45) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL31469550 0.88 HPGD (0.41) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL31469561 0.88 PDPK1 (0.44) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL31469469 0.88 TDP2 (0.39) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL31469542 0.87 HPGD (0.44) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL31469464 0.84 MGAM (0.43) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL31469570 0.84 HPGD (0.41) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL31469501 0.84 SRC (0.43) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL31469474 0.84 HPGD (0.44) HPGDCYP1A2CYP2C9MAPK1CYP2C19

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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