SCHEMBL22705175

SCHEMBL22705175

C=CNc1c2c(cc3c1CCC3)CCC2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 16/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA2 P00918 1/20 0.33

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
SCHEMBL20635326 0.79 NLRP3 (0.42) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL25822346 0.76 NLRP3 (0.41) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22251836 0.75 NLRP3 (0.39) NLRP3ALDH1A1ATMSMN1; SMN2CA2
SCHEMBL22705177 0.72 NLRP3 (0.30) NLRP3
SCHEMBL21646719 0.71 NLRP3 (0.42) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL19505705 0.71 NLRP3 (0.46) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL23674580 0.71 NLRP3 (0.42) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL26590829 0.70 NLRP3 (0.45) NLRP3ALDH1A1ATMSMN1; SMN2
Hydrochloric Acid SCHEMBL21963014 0.70 ALDH1A1 (0.45) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22705368 0.69 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3571187-B1 CHEMICAL COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY GENENTECH INC (US) 2023-11-22 EP disclosed
EP-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 EP disclosed
WO-2023098612-A1 SALT FORM AND CRYSTAL FORM OF DIMETHYL SULFOXIMINE DERIVATIVE 南京明德新药研发有限公司 2023-06-08 WO disclosed
EP-3445756-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-07-06 EP disclosed
EP-3445757-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RES INC (US) 2020-11-25 EP disclosed