SCHEMBL22019866

SCHEMBL22019866

CC1(C)CCc2c1nc1c(c2NC(N)=O)CCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
CYP1A2 P05177 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
USP2 O75604 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
ACHE P22303 3/20 0.38
NLRP3 Q96P20 1/20 0.36
EEF2K O00418 6/20 0.36
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL22020117 0.87 GAA (0.46) GAACYP1A2NPSR1USP2KDM4E
SCHEMBL21963218 0.87 GAA (0.46) GAACYP1A2NPSR1USP2KDM4E
SCHEMBL31651305 0.82 CYP1A2 (0.39) GAACYP1A2NPSR1USP2KDM4E
SCHEMBL22019806 0.80 GAA (0.59) GAACYP1A2NPSR1USP2KDM4E
SCHEMBL24978308 0.79 CYP1A2 (0.36) GAACYP1A2NPSR1USP2KDM4E
SCHEMBL22020361 0.78 USP2 (0.40) GAACYP1A2NPSR1USP2KDM4E
SCHEMBL24978485 0.77 GAA (0.42) GAACYP1A2NPSR1USP2KDM4E
SCHEMBL24978523 0.76 TDP1 (0.37) GAACYP1A2NPSR1USP2KDM4E
SCHEMBL30162183 0.76 TDP1 (0.37) GAACYP1A2NPSR1USP2KDM4E
SCHEMBL22019942 0.74 ACHE (0.55) CYP1A2KDM4EMEN1TSHRKMT2A

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
EP-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 EP disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed