SCHEMBL31469550

SCHEMBL31469550

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 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
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RAD52 P43351 1/20 0.39
▸ TMIGD3 P0DMS9 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ HSD11B1 P28845 3/20 0.37
▸ PGR P06401 1/20 0.37
▸ AR P10275 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GAA P10253 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
SCHEMBL31469474 0.95 HPGD (0.44) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL31469570 0.95 HPGD (0.41) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL31469546 0.89 HPGD (0.47) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL31469551 0.88 HPGD (0.41) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL31469505 0.88 MAPT (0.45) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL31469561 0.88 PDPK1 (0.44) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL31469473 0.88 CYP1A2 (0.42) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL31469542 0.87 HPGD (0.44) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL31469483 0.85 DAGLA (0.45) HPGDCYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL31469534 0.84 CYP2C9 (0.41) 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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