SCHEMBL31413452

SCHEMBL31413452

COC(=O)c1ccc2nc(N3[C@@H]4COC[C@H]3C4)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ PDE4B Q07343 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.40
▸ PDE10A Q9Y233 2/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ KDM2B Q8NHM5 1/20 0.38
▸ PTPN11 Q06124 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 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
SCHEMBL27146407 1.00 HTT (0.48) HTTALOX15PDE4BHRH3PDE10A
SCHEMBL31413459 0.93 ALOX15 (0.45) HTTALOX15PDE4BHRH3PDE10A
SCHEMBL27150781 0.93 ALOX15 (0.45) HTTALOX15PDE4BHRH3PDE10A
SCHEMBL27144412 0.82 PDE10A (0.48) HTTALOX15PDE4BHRH3PDE10A
SCHEMBL31413450 0.82 PDE10A (0.48) HTTALOX15PDE4BHRH3PDE10A
SCHEMBL31413370 0.79 MCHR1 (0.53) HTTALOX15PDE4BHRH3PDE10A
SCHEMBL27142605 0.79 MCHR1 (0.53) HTTALOX15PDE4BHRH3PDE10A
SCHEMBL27142101 0.78 PDE10A (0.48) HTTALOX15PDE4BHRH3PDE10A
SCHEMBL31413425 0.78 PDE10A (0.48) HTTALOX15PDE4BHRH3PDE10A
SCHEMBL27144759 0.77 MCHR1 (0.52) HTTALOX15HRH3NPC1RAB9A

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-119325469-A WEE1 degrading compounds and uses thereof 百时美施贵宝公司 2025-01-17 — — CN disclosed
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