SCHEMBL24855439

SCHEMBL24855439

Oc1cc(C(F)(F)F)ccc1-c1nnc(N[C@@H]2CCCC[C@H]2O)c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.74
KCNH2 Q12809 1/20 0.74
IL1B P01584 7/20 0.46
TNF P01375 2/20 0.44
CHEK1 O14757 1/20 0.41
CHEK2 O96017 1/20 0.41
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TRPV3 Q8NET8 5/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CA9 Q16790 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
SCHEMBL30181078 1.00 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL26435098 1.00 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL30624986 1.00 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL30181196 1.00 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL24855438 1.00 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL30356551 1.00 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL24855753 1.00 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL24855752 1.00 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL30180967 1.00 NLRP3 (0.74) NLRP3KCNH2IL1BTNFCHEK1
SCHEMBL24855754 0.99 NLRP3 (0.73) 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 2 patents. 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
WO-2023275366-A1 NLRP3 INFLAMMASOME INHIBITORS ASTRAZENECA AB (SE) 2023-01-05 WO disclosed