SCHEMBL22705368

SCHEMBL22705368

C=CNc1c2c(c(C#N)c3c1CCC3)CCC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.33
KDM4E B2RXH2 6/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
GAA P10253 3/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PABPC1 P11940 1/20 0.33
CASP1 P29466 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HPGD P15428 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HIF1A Q16665 1/20 0.32
BPTF Q12830 2/20 0.32
ALOX15 P16050 2/20 0.31
HTT P42858 2/20 0.31

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
SCHEMBL24592537 0.80 ALDH1A1 (0.37) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL22705177 0.75 NLRP3 (0.30)
SCHEMBL22905486 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL22705075 0.72 KMT2A (0.42) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL21962721 0.71 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL9748738 0.70 MAPK1 (0.45) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL22705175 0.69 NLRP3 (0.39) ALDH1A1
SCHEMBL23481706 0.69 L3MBTL1 (0.38) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL22012481 0.69 POLB (0.40) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL22013537 0.69 MEN1 (0.54) ALDH1A1KDM4EKMT2AMAPTMEN1

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-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