SCHEMBL24975792

SCHEMBL24975792

CC(C)(C)OC(=O)c1cccc(-c2cc(C=O)nc3ccc(C(=O)N4CCOCC4)cc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.47
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PIK3CD O00329 1/20 0.41
PLK4 O00444 1/20 0.41
JAK2 O60674 1/20 0.41
MAP4K4 O95819 1/20 0.41
ROS1 P08922 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
MARK3 P27448 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
CLK2 P49760 1/20 0.41
CSNK1G2 P78368 1/20 0.41
MAP4K2 Q12851 1/20 0.41

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
SCHEMBL31428549 1.00 ERN1 (0.47) ERN1MEN1RAB9AKMT2AHPGD
SCHEMBL31428507 0.91 GRM2 (0.47) ERN1MEN1RAB9AKMT2AHPGD
SCHEMBL24975793 0.91 GRM2 (0.47) ERN1MEN1RAB9AKMT2AHPGD
SCHEMBL31428552 0.89 MEN1 (0.46) ERN1MEN1RAB9AKMT2AHPGD
SCHEMBL31428482 0.85 HPGD (0.41) RAB9AKMT2AHPGDTSHR
SCHEMBL24975789 0.85 HPGD (0.41) RAB9AKMT2AHPGDTSHR
SCHEMBL31428481 0.85 ERN1 (0.52) ERN1MEN1RAB9AKMT2AHPGD
SCHEMBL31428711 0.84 GRM2 (0.51) ERN1HPGDJAK2GRM2TSHR
SCHEMBL24976130 0.84 PDCD1 (0.42) ERN1MEN1RAB9AKMT2AHPGD
SCHEMBL31428977 0.84 PDCD1 (0.42) ERN1MEN1RAB9AKMT2AHPGD

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-2023008577-A1 RAS/RAF BINDING INHIBITOR COMPOUND 国立大学法人神戸大学 2023-02-02 WO disclosed