SCHEMBL22013537

SCHEMBL22013537

CC(=O)Nc1c2c(c(C#N)c3c1CCC3)CCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GAA P10253 2/20 0.54
ALDH1A1 P00352 9/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 1/20 0.53
POLB P06746 3/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL22705075 0.84 KMT2A (0.42) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL21962721 0.83 ALDH1A1 (0.41) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL22012481 0.81 POLB (0.40) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL23481706 0.77 L3MBTL1 (0.38) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL22012474 0.77 L3MBTL1 (0.38) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL22905486 0.76 ALDH1A1 (0.39) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL25033760 0.76 L3MBTL1 (0.37) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL23063205 0.75 KDM4E (0.40) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL24592537 0.73 ALDH1A1 (0.37) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL22002771 0.73 L3MBTL1 (0.35) MEN1KMT2AGAAALDH1A1L3MBTL1

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-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed