SCHEMBL31469559

SCHEMBL31469559

COc1ccc(-c2cnn(C(CC(=O)c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ALDH1A1 P00352 7/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 3/20 0.43
▸ HSD11B1 P28845 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MGAM O43451 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SI P14410 1/20 0.41
▸ MGAM2 Q2M2H8 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31469542 0.86 HPGD (0.44) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31469508 0.86 CYP2C9 (0.43) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31469474 0.85 HPGD (0.44) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31469505 0.83 MAPT (0.45) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31469501 0.83 SRC (0.43) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31469483 0.82 DAGLA (0.45) HPGDMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL31469551 0.81 HPGD (0.41) L3MBTL1NPC1RAB9AMAPTHPGD
SCHEMBL31469550 0.81 HPGD (0.41) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31469561 0.81 PDPK1 (0.44) L3MBTL1MAPTHPGDMAPK1CYP1A2

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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