SCHEMBL31469548

SCHEMBL31469548

c1ccc([Se]CC(c2ccccc2)n2ncc(-c3ccccc3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.35
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CYP19A1 P11511 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL31469522 0.76 KMT2A (0.32) CYP19A1MEN1NPC1RAB9AKMT2A
SCHEMBL31469558 0.75 RAB9A (0.39) MAOACYP19A1MEN1NPC1RAB9A
SCHEMBL31469546 0.71 HPGD (0.47) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL31469517 0.70 DAGLA (0.39) —
SCHEMBL31469575 0.69 SOAT2 (0.40) NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL31469509 0.69 DAGLA (0.40) —
SCHEMBL31469550 0.69 HPGD (0.41) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL31469540 0.69 DAGLA (0.42) KMT2A
SCHEMBL31469505 0.69 MAPT (0.45) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL31469542 0.69 HPGD (0.44) MEN1NPC1RAB9AKMT2ASMN1; SMN2

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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