SCHEMBL24975796

SCHEMBL24975796

CCOC(=O)c1ccc2nc(C)cc(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GBA1 P04062 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL31428448 1.00 MAPT (0.51) MAPTTP53NPC1RAB9AMEN1
SCHEMBL24975803 0.90 NPC1 (0.56) MAPTTP53NPC1RAB9AMEN1
SCHEMBL31428675 0.90 NPC1 (0.56) MAPTTP53NPC1RAB9AMEN1
SCHEMBL31428851 0.87 NPC1 (0.54) MAPTTP53NPC1RAB9AMEN1
SCHEMBL24975644 0.87 NPC1 (0.54) MAPTTP53NPC1RAB9AMEN1
SCHEMBL24976116 0.86 CTRC (0.50) MAPTTP53NPC1RAB9AMEN1
SCHEMBL31428985 0.86 CTRC (0.50) MAPTTP53NPC1RAB9AMEN1
SCHEMBL24975465 0.85 ABCG2 (0.43) MAPTTP53NPC1MEN1KMT2A
SCHEMBL31428407 0.85 ABCG2 (0.43) MAPTTP53NPC1MEN1KMT2A
SCHEMBL31428599 0.84 NPC1 (0.55) MAPTTP53NPC1RAB9AMEN1

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