SCHEMBL31310325

SCHEMBL31310325

C=C(OCC)c1ncc([N+](=O)[O-])cc1Br

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.45
▸ POLB P06746 1/20 0.45
▸ GLA P06280 1/20 0.42
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL30053701 0.78 ALDH1A1 (0.40) MAPTPOLBNPC1KDM4EKMT2A
SCHEMBL28419039 0.78 ALDH1A1 (0.40) MAPTPOLBNPC1KDM4EKMT2A
SCHEMBL14534667 0.78 MAPT (0.46) MAPTPOLBGLARAB9ANPC1
SCHEMBL29560210 0.76 AGBL2 (0.33) —
SCHEMBL22866555 0.76 AGBL2 (0.33) —
SCHEMBL31310145 0.75 GAA (0.43) MAPTPOLBGLAKMT2AALDH1A1
SCHEMBL13728103 0.75 MAPT (0.46) MAPTPOLBGLARAB9ANPC1
SCHEMBL3355225 0.74 KMT2A (0.41) MAPTPOLBGLARAB9ANPC1
SCHEMBL17512586 0.73 MAPT (0.55) MAPTPOLBGLARAB9ANPC1
SCHEMBL29999860 0.73 NPC1 (0.46) MAPTPOLBGLARAB9ANPC1

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-119264113-A GSPT1 degradation agent and application thereof 江苏运动健康研究院 2025-01-07 — — CN disclosed
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