SCHEMBL31469464

SCHEMBL31469464

O=C(CC(c1ccccc1)n1ncc(-c2ccccc2)n1)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 4/20 0.43
▸ GAA P10253 4/20 0.43
▸ SI P14410 4/20 0.43
▸ MGAM2 Q2M2H8 4/20 0.43
▸ PTPN1 P18031 1/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ HPGD P15428 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ KAT6A Q92794 1/20 0.36
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ PIN1 Q13526 2/20 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
SCHEMBL31469539 0.89 PDPK1 (0.42) SMN1; SMN2HPGDPDPK1CYP1A2CYP2C9
SCHEMBL31469546 0.85 HPGD (0.47) PTPN1SMN1; SMN2HPGDKDM4ECYP1A2
SCHEMBL31469551 0.84 HPGD (0.41) MGAMGAASIMGAM2HPGD
SCHEMBL31469561 0.84 PDPK1 (0.44) HPGDPDPK1CYP1A2CYP2C9MAPK1
SCHEMBL31469550 0.84 HPGD (0.41) GAASMN1; SMN2HPGDKDM4ECYP1A2
SCHEMBL31469505 0.84 MAPT (0.45) GAASMN1; SMN2HPGDCYP1A2CYP2C9
SCHEMBL31469469 0.83 TDP2 (0.39) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL31469541 0.83 CYP1A2 (0.38) HPGDPDPK1CYP1A2CYP2C9MAPK1
SCHEMBL31469542 0.82 HPGD (0.44) PTPN1SMN1; SMN2HPGDCYP1A2CYP2C9
SCHEMBL31469474 0.80 HPGD (0.44) GAASMN1; SMN2HPGDKDM4ECYP1A2

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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