SCHEMBL6238945

SCHEMBL6238945

Cc1cnc(C(Cc2ccccc2)NCc2ccc(OCc3ccccc3)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.49
SIGMAR1 Q99720 1/20 0.45
MAPK1 P28482 2/20 0.44
F2 P00734 1/20 0.43
LTA4H P09960 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL6238951 1.00 BCHE (0.49) BCHESIGMAR1MAPK1F2LTA4H
SCHEMBL6234535 0.89 BCHE (0.50) BCHESIGMAR1MAPK1F2MEN1
SCHEMBL6255029 0.89 BCHE (0.50) BCHESIGMAR1MAPK1F2MEN1
SCHEMBL6237847 0.86 BCHE (0.54) BCHESIGMAR1MAPK1F2MEN1
SCHEMBL6237852 0.86 BCHE (0.54) BCHESIGMAR1MAPK1F2MEN1
SCHEMBL6238954 0.79 BCHE (0.60) BCHEMAPK1MEN1KMT2A
SCHEMBL6236045 0.79 CTSA (0.43)
SCHEMBL6236043 0.79 CTSA (0.43)
SCHEMBL27532286 0.78 PPARG (0.43) BCHESIGMAR1LTA4HMEN1KMT2A
SCHEMBL27532285 0.78 PPARG (0.49) LTA4HMEN1KMT2A

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