SCHEMBL22012474

SCHEMBL22012474

N#Cc1c2c(c(NC(=O)N=N)c3c1CCC3)CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.38
POLB P06746 4/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
GAA P10253 4/20 0.37
ALDH1A1 P00352 11/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
RAB9A P51151 5/20 0.35
HPGD P15428 4/20 0.35
NPC1 O15118 4/20 0.35
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
HIF1A Q16665 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ESR2 Q92731 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL23481706 0.83 L3MBTL1 (0.38) L3MBTL1POLBMEN1KMT2AGAA
SCHEMBL25033760 0.82 L3MBTL1 (0.37) L3MBTL1POLBMEN1KMT2AGAA
SCHEMBL21962721 0.79 ALDH1A1 (0.41) L3MBTL1POLBMEN1KMT2AGAA
SCHEMBL22002771 0.78 L3MBTL1 (0.35) L3MBTL1POLBMEN1KMT2AGAA
SCHEMBL22012481 0.77 POLB (0.40) L3MBTL1POLBMEN1KMT2AGAA
SCHEMBL22013537 0.77 MEN1 (0.54) L3MBTL1POLBMEN1KMT2AGAA
SCHEMBL22705075 0.72 KMT2A (0.42) L3MBTL1POLBMEN1KMT2AGAA
SCHEMBL22013594 0.70 ALDH1A1 (0.41) L3MBTL1POLBMEN1KMT2AGAA
SCHEMBL24592537 0.69 ALDH1A1 (0.37) L3MBTL1POLBMEN1KMT2AGAA
SCHEMBL22905486 0.69 ALDH1A1 (0.39) L3MBTL1POLBMEN1KMT2AGAA

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