SCHEMBL31043005

SCHEMBL31043005

CC(C)(C)OC(=O)N1CCC(C(F)(F)c2ccc(Cl)nn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STS P08842 6/20 0.48
GPR119 Q8TDV5 8/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
MMP13 P45452 1/20 0.42

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
SCHEMBL31043004 0.87 P2RX7 (0.42) STSMEN1KMT2AALDH1A1MAPT
SCHEMBL31165545 0.80 STS (0.47) STSGPR119MEN1KMT2ANPC1
SCHEMBL24762239 0.79 STS (0.51) STSGPR119MMP13
SCHEMBL23165563 0.79 STS (0.42) STSGPR119MEN1KMT2A
SCHEMBL22797037 0.76 PTPN2 (0.62) STSKMT2ANPC1ALDH1A1MAPT
SCHEMBL31043013 0.76 STS (0.53) STSGPR119KMT2ANPC1ALDH1A1
SCHEMBL5266887 0.76 GPR119 (0.65) STSGPR119
SCHEMBL29079806 0.76 GPR119 (0.46) STSGPR119MEN1KMT2ANPC1
SCHEMBL34461283 0.76 GPR119 (0.53) GPR119MAPTPTPN2PTPN1PTPN6
SCHEMBL15475871 0.75 KDM4E (0.48) STSGPR119NPC1ALDH1A1MAPT

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-4658644-A1 2-(PYRIDAZIN-3-YL)-5-(TRIFLUOROMETHYL)PHENOLS AS NLRP3 INHIBITORS Janssen Pharmaceutica NV (BE) 2025-12-10 EP disclosed
WO-2024160690-A1 2-(PYRIDAZIN-3-YL)-5-(TRIFLUOROMETHYL)PHENOLS AS NLRP3 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-08-08 WO disclosed