SCHEMBL31469505

SCHEMBL31469505

Cc1ccc(C(=O)CC(c2ccccc2)n2ncc(-c3ccccc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ LMNA P02545 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ MAPK1 P28482 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ SRC P12931 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ GRM5 P41594 1/20 0.38
▸ TMIGD3 P0DMS9 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL31469501 0.95 SRC (0.43) MAPTLMNAHPGDMAPK1CYP1A2
SCHEMBL31469546 0.89 HPGD (0.47) MAPTLMNAHPGDMAPK1CYP1A2
SCHEMBL31469551 0.88 HPGD (0.41) MAPTHPGDMAPK1CYP1A2CYP2C9
SCHEMBL31469550 0.88 HPGD (0.41) MAPTLMNAHPGDMAPK1CYP1A2
SCHEMBL31469561 0.88 PDPK1 (0.44) MAPTHPGDMAPK1CYP1A2CYP2C9
SCHEMBL31469542 0.87 HPGD (0.44) MAPTLMNAHPGDMAPK1CYP1A2
SCHEMBL31469508 0.84 CYP2C9 (0.43) MAPTHPGDMAPK1CYP1A2CYP2C9
SCHEMBL31469464 0.84 MGAM (0.43) LMNAHPGDMAPK1CYP1A2CYP2C9
SCHEMBL31469534 0.84 CYP2C9 (0.41) MAPTHPGDMAPK1CYP1A2CYP2C9
SCHEMBL31469570 0.84 HPGD (0.41) MAPTHPGDMAPK1CYP1A2CYP2C9

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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