SCHEMBL31649110

SCHEMBL31649110

CCCCOC(=O)N[C@@H](C)c1ncnn1-c1ncc(Br)cn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HRH3 Q9Y5N1 12/20 0.36
▸ HRH4 Q9H3N8 4/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ ACACB O00763 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
SCHEMBL31649175 0.85 L3MBTL1 (0.35) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD
SCHEMBL31648886 0.83 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD
SCHEMBL31396375 0.80 AAK1 (0.39) ACACB
SCHEMBL31649160 0.79 ACACB (0.35) HRH3HRH4ACACB
SCHEMBL31649085 0.78 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD
SCHEMBL31648983 0.78 RAB9A (0.38) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD
SCHEMBL31648743 0.77 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD
SCHEMBL29903406 0.76 RAB9A (0.37) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD
SCHEMBL31649341 0.76 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD
SCHEMBL31440732 0.73 IRAK4 (0.34) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD

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
WO-2025132758-A1 PESTICIDALLY ACTIVE QUINAZOLINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-06-26 — — WO disclosed
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