SCHEMBL439805

SCHEMBL439805

COc1cc(Cl)cc2c(N)cc(C)nc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.47
HSP90AA1 P07900 3/20 0.44
HSP90AB1 P08238 2/20 0.44
MAPT P10636 1/20 0.42
CRHR1 P34998 2/20 0.41
DHFR P00374 2/20 0.40
NCF1 P14598 1/20 0.38
G6PD P11413 1/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL437497 0.80 NR4A2 (0.62) NR4A2HSP90AA1HSP90AB1MAPTCRHR1
SCHEMBL436019 0.80 NR4A2 (0.53) NR4A2MAPTCRHR1NCF1KDM4E
SCHEMBL441787 0.78 MCHR1 (0.37) HSP90AA1HSP90AB1MAPTCRHR1
SCHEMBL437287 0.75 NR4A2 (0.61) NR4A2HSP90AA1MAPTCRHR1NCF1
SCHEMBL10099094 0.75 CXCL12 (0.40) HSP90AA1HSP90AB1MAPTCRHR1GAA
SCHEMBL9860481 0.73 G6PD (0.49) NR4A2HSP90AA1HSP90AB1MAPTCRHR1
SCHEMBL438207 0.73 MAPT (0.53) NR4A2HSP90AA1HSP90AB1MAPTCRHR1
SCHEMBL27296032 0.71 SMN1; SMN2 (0.35) MAPTCRHR1GAAKDM4E
SCHEMBL441437 0.70 MAPT (0.57) NR4A2HSP90AA1HSP90AB1MAPTCRHR1
SCHEMBL14498166 0.69 SLC2A1 (0.55) NR4A2NCF1GAA

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed