SCHEMBL31196453

SCHEMBL31196453

NC(=O)c1ccnc(C2CCC(C(=O)O)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
AKR1C1 Q04828 1/20 0.45
KDM4B O94953 1/20 0.39
KDM5C P41229 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
DGAT1 O75907 1/20 0.39
SOAT1 P35610 1/20 0.39
PROKR1 Q8TCW9 1/20 0.39
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
GSK3B P49841 4/20 0.38
PDE4D Q08499 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL31196421 1.00 AKR1C3 (0.45) AKR1C3AKR1C1KDM4BKDM5CKDM5B
SCHEMBL4173650 0.85 PROKR1 (0.48) KDM4BKDM5CKDM5BPROKR1OPRK1
SCHEMBL31196254 0.84 OPRM1 (0.40) KDM4BKDM5CKDM5BPROKR1OPRK1
SCHEMBL29050696 0.75 JAK2 (0.44) KDM4BKDM5CKDM5BPROKR1DDB1
SCHEMBL16094504 0.74 KDM4C (0.53) KDM4BKDM5CKDM5BPROKR1HDAC3
SCHEMBL30504055 0.74 KDM4C (0.53) KDM4BKDM5CKDM5BPROKR1HDAC3
SCHEMBL6118725 0.73 PRKD1 (0.45) KDM4BKDM5CKDM5BDDB1CRBN
SCHEMBL31196335 0.73 RIPK1 (0.49) KDM5BPROKR1GSK3BHDAC4PARP10
SCHEMBL6494259 0.72 PROKR1 (0.50) KDM5CKDM5BPROKR1GSK3BHDAC3
SCHEMBL18230111 0.71 OPRM1 (0.47) KDM4BKDM5CKDM5BPROKR1GSK3B

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-4709716-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2026-03-18 EP disclosed
WO-2024233554-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2024-11-14 WO disclosed