SCHEMBL31200352

SCHEMBL31200352

CC1(Oc2cnc3cc[nH]c3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.39
▸ MMP12 P39900 1/20 0.37
▸ APP P05067 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ TNKS O95271 2/20 0.34
▸ LRRK2 Q5S007 10/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ACACA Q13085 1/20 0.32
▸ SLC28A2 O43868 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ TTK P33981 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ HTR2B P41595 1/20 0.32

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
SCHEMBL31200193 0.77 MMP12 (0.56) BRD4MMP12APPMEN1POLB
SCHEMBL12925129 0.77 MMP12 (0.56) BRD4MMP12APPMEN1POLB
SCHEMBL1150521 0.74 BRD4 (0.42) BRD4MMP12APPMEN1POLB
SCHEMBL12896064 0.73 BRD4 (0.41) BRD4MMP12APPMEN1POLB
SCHEMBL27927096 0.71 ALDH1A1 (0.52) BRD4MMP12APPPOLBPIK3C3
SCHEMBL14856794 0.69 PIK3C3 (0.42) BRD4MMP12APPPIK3C3
SCHEMBL25469530 0.69 GABRA1 (0.39) BRD4MMP12APPMEN1POLB
SCHEMBL12526800 0.68 BRD4 (0.44) BRD4MMP12APPMAPK1PIK3C3
SCHEMBL586478 0.68 BRD4 (0.51) BRD4MMP12APPMAPK1PIK3C3
SCHEMBL21611607 0.67 KDR (0.39) BRD4MMP12APPMEN1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709722-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2026-03-18 — — EP disclosed
WO-2024233547-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2024-11-14 — — WO disclosed
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