SCHEMBL439448

SCHEMBL439448

Cc1cc(N)c2c(Cl)ccc(Cl)c2n1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.59
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NCF1 P14598 1/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PIK3R2 O00459 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
CD44 P16070 1/20 0.34
LMNA P02545 1/20 0.34
CRHR1 P34998 1/20 0.34

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
SCHEMBL437233 0.89 NR4A2 (0.51) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL441437 0.83 MAPT (0.57) NR4A2MAPTHSP90AA1HSP90AB1MEN1
SCHEMBL438207 0.83 MAPT (0.53) NR4A2MAPTHSP90AA1HSP90AB1MEN1
SCHEMBL11543194 0.81 NR4A2 (0.51) NR4A2KDM4ETDP1MAPTL3MBTL1
SCHEMBL11637772 0.78 KDM4E (0.50) NR4A2KDM4ETDP1MAPTL3MBTL1
SCHEMBL11544558 0.76 NR4A2 (0.46) NR4A2KDM4ETDP1MAPTL3MBTL1
SCHEMBL439579 0.74 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL438980 0.74 NR4A2 (1.00) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL439768 0.74 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL436991 0.74 NOS3 (0.41) NR4A2MAPTHSP90AB1TP53LMNA

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