SCHEMBL30488161

SCHEMBL30488161

CCCCOC(=O)C(C#N)c1ccc(OC(F)(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 8/20 0.40
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
CASP1 P29466 4/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
KDM4E B2RXH2 5/20 0.38
NPSR1 Q6W5P4 4/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 3/20 0.37
HTT P42858 3/20 0.37
APP P05067 1/20 0.37
SNCA P37840 1/20 0.37
LMNA P02545 4/20 0.37
L3MBTL1 Q9Y468 3/20 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
SCHEMBL25275172 0.80 RAPGEF3 (0.36) KMT2AMEN1GAASMN1; SMN2TSHR
SCHEMBL14342737 0.73 KMT2A (0.50) KMT2AMEN1GAASMN1; SMN2TSHR
SCHEMBL21503683 0.70 SLC2A1 (0.37) ALDH1A1HDAC3HDAC1HDAC2KDM4E
SCHEMBL30488185 0.70 SCN10A (0.42) HDAC3HDAC1HDAC2CYP2C9ALOX5
SCHEMBL29834165 0.70 MEN1 (0.41) KMT2AMEN1GAASMN1; SMN2TSHR
SCHEMBL26773895 0.68 SCN10A (0.39) TSHRL3MBTL1
SCHEMBL19466194 0.68 ALDH1A1 (0.41) KMT2AMEN1GAATSHRMAPT
SCHEMBL23651744 0.68 TSHR (0.42) KMT2AMEN1GAASMN1; SMN2TSHR
SCHEMBL20098206 0.68 SCN10A (0.41) TSHRL3MBTL1CYP1A2
SCHEMBL20372909 0.67 ESR1 (0.36) L3MBTL1CYP1A2ESR1

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-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed