SCHEMBL30953772

SCHEMBL30953772

COC(=O)c1cn(Cc2ccc(OC)cc2)nc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.46
KMT2A Q03164 4/20 0.46
CACNA1G O43497 3/20 0.46
CACNA1H O95180 3/20 0.46
CACNA1I Q9P0X4 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HDAC1 Q13547 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
SNCA P37840 1/20 0.44
MEN1 O00255 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CMA1 P23946 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL25191628 0.88 MAPT (0.47) AADATKMT2AL3MBTL1KDM4EHTT
SCHEMBL25184413 0.88 AADAT (0.47) AADATKMT2ACACNA1GCACNA1HCACNA1I
SCHEMBL25205458 0.88 KMT2A (0.55) AADATKMT2ACACNA1GCACNA1HCACNA1I
SCHEMBL25188719 0.86 AADAT (0.46) AADATKMT2ACACNA1GCACNA1HCACNA1I
SCHEMBL371016 0.86 KMT2A (0.46) AADATKMT2ACACNA1GCACNA1HCACNA1I
SCHEMBL14823853 0.86 KMT2A (0.46) AADATKMT2ACACNA1GCACNA1HCACNA1I
SCHEMBL368884 0.86 BLM (0.42) AADATKMT2ACACNA1GCACNA1HCACNA1I
SCHEMBL369754 0.84 KLKB1 (0.52)
SCHEMBL25198644 0.84 GSK3B (0.47) AADATKMT2ACACNA1GCACNA1HCACNA1I
SCHEMBL15049569 0.82 GAA (0.59) GAA

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-2024140431-A1 COMPOUNDS COMPRISING HETEROARYL RINGS AND COMPOSITIONS AND METHODS THEREOF IONGEN THERAPEUTICS CO., LTD. (CN) 2024-07-04 WO disclosed