SCHEMBL26437757

SCHEMBL26437757

Oc1cc(Cl)cnc1-c1nnc(NC2CCCCC2O)c2c(F)cccc12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.41
KCNH2 Q12809 1/20 0.41
CHRM1 P11229 7/20 0.35
CCNT1 O60563 1/20 0.34
IRAK1 P51617 1/20 0.33
LATS1 O95835 2/20 0.32
LATS2 Q9NRM7 1/20 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
SCHEMBL26437763 0.93 NLRP3 (0.42) NLRP3KCNH2CHRM1CCNT1IRAK1
SCHEMBL26437756 0.87 NLRP3 (0.53) NLRP3KCNH2
SCHEMBL26437136 0.86 NLRP3 (0.48) NLRP3KCNH2CHRM1IRAK1LATS1
SCHEMBL26437123 0.83 NLRP3 (0.41) NLRP3KCNH2IRAK1LATS1LATS2
SCHEMBL26437761 0.80 NLRP3 (0.54) NLRP3KCNH2
SCHEMBL26437579 0.79 NLRP3 (0.55) NLRP3KCNH2IRAK1LATS1LATS2
SCHEMBL26438783 0.77 NLRP3 (0.68) NLRP3KCNH2
SCHEMBL26437772 0.74 IL1B (0.44) NLRP3
SCHEMBL26093175 0.74 NLRP3 (0.57) NLRP3KCNH2LATS1LATS2
SCHEMBL26436323 0.74 NLRP3 (0.57) NLRP3KCNH2LATS1LATS2

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