SCHEMBL30973576

SCHEMBL30973576

COC(=O)COc1cnnc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 6/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SYK P43405 1/20 0.38
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 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
SCHEMBL15540674 0.76 PTGS2 (0.50) LMNAPTGS2ALDH1A1MAPTKDM4E
SCHEMBL19796297 0.74 NPC1 (0.57) LMNAPTGS2ALDH1A1MAPTKMT2A
SCHEMBL26424078 0.74 LMNA (0.46) LMNAPTGS2ALDH1A1HPGDGAA
SCHEMBL750505 0.73 PLAU (0.37)
SCHEMBL30698349 0.72
SCHEMBL28025218 0.71 GLA (0.41) LMNAALDH1A1HPGDGAAMAPT
SCHEMBL23291609 0.71 LMNA (0.54) LMNAPTGS2ALDH1A1HPGDGAA
SCHEMBL30599166 0.71 CYP11B2 (0.31)
SCHEMBL25397218 0.71 CYP11B2 (0.31)
SCHEMBL13116437 0.70 LMNA (0.57) LMNAPTGS2ALDH1A1HPGDGAA

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-4642784-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2025-11-05 EP disclosed
WO-2024145623-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed