SCHEMBL6234535

SCHEMBL6234535

Cc1cnc([C@H](CC(C)C)NCc2ccc(OCc3ccccc3)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.50
MAPK1 P28482 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
F2 P00734 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL6255029 1.00 BCHE (0.50) BCHEMAPK1MEN1KMT2APOLB
SCHEMBL6238945 0.89 BCHE (0.49) BCHEMAPK1MEN1KMT2APOLB
SCHEMBL6238951 0.89 BCHE (0.49) BCHEMAPK1MEN1KMT2APOLB
SCHEMBL6237852 0.86 BCHE (0.54) BCHEMAPK1MEN1KMT2APOLB
SCHEMBL6237847 0.86 BCHE (0.54) BCHEMAPK1MEN1KMT2APOLB
SCHEMBL6238954 0.77 BCHE (0.60) BCHEMAPK1MEN1KMT2A
SCHEMBL6236037 0.73 MAOB (0.45) BCHE
SCHEMBL6236034 0.73 MAOB (0.45) BCHE
SCHEMBL2450970 0.73 BCHE (0.71) BCHEMAPK1MEN1KMT2APOLB
SCHEMBL27532286 0.72 PPARG (0.43) BCHEMEN1KMT2ASIGMAR1

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-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed