SCHEMBL4779286

SCHEMBL4779286

COc1ccc2cc(C3CC3)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 3/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
CA2 P00918 1/20 0.49
FLT3 P36888 2/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
HRH4 Q9H3N8 1/20 0.44
HSD17B10 Q99714 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 3/20 0.43
GFER P55789 2/20 0.42
HPGD P15428 1/20 0.42
ITK Q08881 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL30627124 0.89 CA2 (0.44) KMT2AMEN1POLBMAPK1CA2
SCHEMBL1429949 0.87 AXL (0.57) KMT2AMEN1POLBCA2FLT3
SCHEMBL19329852 0.74 MAPT (0.43) KMT2AMEN1POLBMAPK1NPC1
SCHEMBL23932577 0.73 CA2 (0.56) KMT2AMEN1POLBMAPK1CA2
SCHEMBL435522 0.73 AXL (0.72) KMT2AMEN1POLBMAPK1CA2
SCHEMBL705545 0.72 KDM4E (0.59) KMT2AMEN1POLBMAPK1CA2
SCHEMBL27957004 0.72 CA2 (0.54) KMT2AMEN1POLBMAPK1CA2
SCHEMBL26675902 0.72 CA2 (0.54) KMT2AMEN1POLBMAPK1CA2
SCHEMBL12778114 0.72 CA2 (0.54) KMT2AMEN1POLBMAPK1CA2
SCHEMBL73543 0.71 AOC3 (0.47) CA2FLT3NPC1RAB9AHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP disclosed
EP-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed