SCHEMBL31413425

SCHEMBL31413425

COC(=O)c1ccc2nc(N3C[C@H]4C[C@@H](C3)O4)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 4/20 0.48
▸ ALOX15 P16050 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HRH3 Q9Y5N1 3/20 0.43
▸ ACACB O00763 2/20 0.42
▸ PDE4B Q07343 1/20 0.41
▸ MAP3K5 Q99683 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 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
SCHEMBL27142101 1.00 PDE10A (0.48) PDE10AALOX15HTTHRH3ACACB
SCHEMBL31413450 0.86 PDE10A (0.48) PDE10AALOX15HTTHRH3ACACB
SCHEMBL27144412 0.86 PDE10A (0.48) PDE10AALOX15HTTHRH3ACACB
SCHEMBL27110450 0.85 PDE10A (0.53) PDE10AALOX15HTTHRH3ACACB
SCHEMBL27144759 0.81 MCHR1 (0.52) ALOX15HTTHRH3AURKANPC1
SCHEMBL20176398 0.80 KDM4E (0.53) PDE10AALOX15HTTHRH3NPC1
SCHEMBL31413370 0.80 MCHR1 (0.53) PDE10AALOX15HTTHRH3PDE4B
SCHEMBL27142605 0.80 MCHR1 (0.53) PDE10AALOX15HTTHRH3PDE4B
SCHEMBL12302240 0.80 ALDH1A1 (0.56) ALOX15HTTHRH3NPC1RAB9A
SCHEMBL31413480 0.78 ALDH1A1 (0.58) PDE10AALOX15HTTHRH3PDE4B

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
Send feedback