SCHEMBL24464302

SCHEMBL24464302

Nc1cccn(-c2ccc(F)cc2OCC(F)(F)F)c1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 16/20 0.42
ADRA1B P35368 15/20 0.42
ADRA1D P25100 13/20 0.42
UGCG Q16739 2/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
G6PD P11413 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN9A Q15858 1/20 0.35

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
SCHEMBL29907341 0.82 UGCG (0.52) ADRA1AADRA1BADRA1DUGCGKDM4E
SCHEMBL24464361 0.77 UGCG (0.43) ADRA1AADRA1BADRA1DUGCGSCN9A
SCHEMBL24464357 0.74 UGCG (0.60) UGCG
SCHEMBL24464284 0.73 UGCG (0.60) UGCGSCN9A
SCHEMBL29907403 0.73 UGCG (0.60) UGCGSCN9A
SCHEMBL29907618 0.72 UGCG (0.62) UGCG
SCHEMBL29907613 0.72 UGCG (0.83) UGCGKMT2A
SCHEMBL24464346 0.72 UGCG (0.53) UGCGMEN1KMT2AL3MBTL1
SCHEMBL24464277 0.72 UGCG (0.53) UGCGMEN1KMT2AL3MBTL1
SCHEMBL29907685 0.72 UGCG (0.69) UGCGMEN1MAPTKMT2A

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
EP-4005637-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2022-06-01 EP disclosed