SCHEMBL26435693

SCHEMBL26435693

Oc1cc(C(F)(F)F)ccc1-c1nnc(NC2CCCCC2O)c2ncccc12

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.68
KCNH2 Q12809 1/20 0.68
IL1B P01584 7/20 0.43
TNF P01375 2/20 0.41
CHEK1 O14757 1/20 0.36
CHEK2 O96017 1/20 0.36
TRPV3 Q8NET8 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HCRTR1 O43613 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL30375062 1.00 NLRP3 (0.68) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL26438939 1.00 NLRP3 (0.68) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL26093704 1.00 NLRP3 (0.68) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL26093286 0.93 NLRP3 (0.68) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL26435889 0.93 NLRP3 (0.68) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL30374849 0.93 NLRP3 (0.68) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL26437103 0.88 NLRP3 (0.54) NLRP3KCNH2IL1BTNFHCRTR1
SCHEMBL24855438 0.87 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL24855752 0.87 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL30181078 0.87 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 WO disclosed