SCHEMBL22019727

SCHEMBL22019727

CCc1nc2c(c(C(C)C)c1C1CC1)CCC2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.34
GAA P10253 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL22019778 0.80 MEN1 (0.37) MEN1KMT2ATSHRGAACYP1A2
SCHEMBL24978510 0.80 MEN1 (0.37) MEN1KMT2ATSHRGAACYP1A2
SCHEMBL22019756 0.80 KDM4E (0.35) MEN1KMT2ATSHRNPSR1KDM4E
SCHEMBL21963080 0.79 ACHE (0.46) MEN1KMT2AKDM4E
SCHEMBL24977974 0.77 MEN1 (0.35) MEN1KMT2AGAACYP1A2KDM4E
SCHEMBL22020006 0.77 TSHR (0.34) MEN1KMT2ATSHRGAANPSR1
SCHEMBL24978135 0.75 MEN1 (0.42) MEN1KMT2ATSHRGAANPSR1
SCHEMBL22170105 0.71 ACHE (0.48) MEN1KMT2ATSHRGAANPSR1
SCHEMBL24871638 0.71 KDM4E (0.33) MEN1KMT2ATSHRNPSR1KDM4E
SCHEMBL22020547 0.71 NPSR1 (0.36) MEN1KMT2ATSHRGAANPSR1

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-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed