SCHEMBL31196334

SCHEMBL31196334

NC(=O)c1cc(OCC2CCCC(C(=O)O)CC2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.41
PARP15 Q460N3 6/20 0.41
PARP2 Q9UGN5 2/20 0.41
CNR2 P34972 1/20 0.38
KMO O15229 1/20 0.37
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MAP4K4 O95819 1/20 0.35
LRRK2 Q5S007 1/20 0.35
SYK P43405 1/20 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
SCHEMBL31196382 0.88 KMO (0.36) PARP10PARP15PARP2CNR2KMO
SCHEMBL31196232 0.76 RIPK1 (0.51) PARP10PARP15PARP2CNR2CDK1
SCHEMBL31196165 0.76 RIPK1 (0.51) PARP10PARP15PARP2CNR2CDK1
SCHEMBL31196325 0.71 HPGD (0.40) CNR2KMO
SCHEMBL31196108 0.71 RIPK1 (0.54) PARP10PARP15CNR2
SCHEMBL31196507 0.71 RIPK1 (0.54) PARP10PARP15CNR2
SCHEMBL31196433 0.69 HPGD (0.40) PARP10PARP15PARP2CNR2FFAR4
SCHEMBL16290891 0.69 MCHR1 (0.42) PARP10PARP15PARP2CDK1CDK2
SCHEMBL25257074 0.66 KMO (0.51) KMOLRRK2
SCHEMBL30547498 0.66 KMO (0.51) KMOLRRK2

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