SCHEMBL24869124

SCHEMBL24869124

CC(C)c1ccc(F)cc1OCC#N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
AR P10275 1/20 0.35
NPBWR1 P48145 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MCHR1 Q99705 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL18909750 0.87 ALOX5AP (0.39) ALOX5APFEN1MEN1KMT2AL3MBTL1
SCHEMBL25484238 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL9908241 0.81 HRH4 (0.45) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL9918378 0.80 KMT2A (0.45) ALDH1A1MEN1KMT2AL3MBTL1AR
SCHEMBL18929928 0.80 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL3066192 0.78 ALOX5AP (0.46) ALOX5APFEN1ALDH1A1GPBAR1MKNK2
SCHEMBL9945958 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL25487019 0.76 POLB (0.51) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL24869064 0.75 ALDH1A1 (0.44) ALOX5APFEN1ALDH1A1KDM4EMEN1
SCHEMBL24869054 0.75 CYP1A2 (0.42) ALDH1A1KDM4EMEN1KMT2AL3MBTL1

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-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed