SCHEMBL26436992

SCHEMBL26436992

Oc1cc(C(F)(F)F)cnc1-c1nnc(NC2CCCCC2O)c2ccoc12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.54
KCNH2 Q12809 1/20 0.54
IL1B P01584 5/20 0.40
TNF P01375 1/20 0.40
TRPV3 Q8NET8 2/20 0.34
LATS1 O95835 2/20 0.33
LATS2 Q9NRM7 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
HCRTR1 O43613 4/20 0.32

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
SCHEMBL26093220 1.00 NLRP3 (0.54) NLRP3KCNH2IL1BTNFTRPV3
SCHEMBL31072367 1.00 NLRP3 (0.54) NLRP3KCNH2IL1BTNFTRPV3
SCHEMBL26436999 0.93 NLRP3 (0.54) NLRP3KCNH2IL1BTNFTRPV3
SCHEMBL26091817 0.93 NLRP3 (0.54) NLRP3KCNH2IL1BTNFTRPV3
SCHEMBL26437018 0.87 NLRP3 (0.69) NLRP3KCNH2IL1BTNFTRPV3
SCHEMBL26093175 0.85 NLRP3 (0.57) NLRP3KCNH2IL1BTNFLATS1
SCHEMBL26436323 0.85 NLRP3 (0.57) NLRP3KCNH2IL1BTNFLATS1
SCHEMBL26436537 0.83 NLRP3 (0.54) NLRP3KCNH2IL1BTNFLATS1
SCHEMBL30375525 0.81 NLRP3 (0.54) NLRP3KCNH2IL1BTNFTRPV3
SCHEMBL26437761 0.81 NLRP3 (0.54) NLRP3KCNH2IL1BTNFTRPV3

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