SCHEMBL31196366

SCHEMBL31196366

COC(=O)[C@H]1C[C@@H](n2cnc3ccccc32)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
CYP2C9 P11712 1/20 0.48
IDO1 P14902 1/20 0.48
KCNH2 Q12809 1/20 0.48
PKM P14618 1/20 0.46
KMT2A Q03164 2/20 0.46
DRD2 P14416 1/20 0.46
SLC6A4 P31645 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.44
FGFR1 P11362 1/20 0.44
FPR2 P25090 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRL1 P41146 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
IKZF3 Q9UKT9 1/20 0.41

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
SCHEMBL31196353 0.83 IDO1 (0.51) CYP2C9IDO1KCNH2KMT2AALDH1A1
SCHEMBL31196351 0.83 IDO1 (0.51) CYP2C9IDO1KCNH2KMT2AALDH1A1
SCHEMBL31196386 0.83 MKNK1 (0.47) USP2CYP2C9IDO1KCNH2PKM
SCHEMBL31196498 0.83 MKNK1 (0.47) USP2CYP2C9IDO1KCNH2PKM
SCHEMBL31196606 0.82 IDO1 (0.52) CYP2C9IDO1KCNH2ALDH1A1TP53
SCHEMBL18236380 0.75 DRD2 (0.54) USP2CYP2C9IDO1KCNH2PKM
SCHEMBL17374211 0.73 DRD2 (0.51) USP2CYP2C9IDO1KCNH2PKM
SCHEMBL17374212 0.73 DRD2 (0.51) USP2CYP2C9IDO1KCNH2PKM
SCHEMBL432010 0.72 DRD2 (0.65) USP2PKMKMT2ADRD2SLC6A4
SCHEMBL31196390 0.72 HTT (0.46) CYP2C9CCR5

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