SCHEMBL437497

SCHEMBL437497

Cc1cc(N)c2cc(Cl)cc(Cl)c2n1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.62
BCHE P06276 3/20 0.44
ACHE P22303 3/20 0.44
GRIN1 Q05586 3/20 0.44
GRIN2A Q12879 3/20 0.44
NCF1 P14598 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
CRHR1 P34998 3/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ADORA2A P29274 1/20 0.39
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 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
SCHEMBL440270 0.85 NR4A2 (0.62) NR4A2NCF1ALDH1A1HTTCRHR1
SCHEMBL436019 0.85 NR4A2 (0.53) NR4A2BCHEACHEGRIN1GRIN2A
SCHEMBL4744678 0.82 CRHR1 (0.50) NR4A2BCHEACHEGRIN1GRIN2A
SCHEMBL439805 0.80 NR4A2 (0.47) NR4A2NCF1CRHR1KDM4ETDP1
SCHEMBL4745138 0.78 KMT2A (0.42) NR4A2BCHEACHEGRIN1GRIN2A
SCHEMBL438980 0.76 NR4A2 (1.00) NR4A2ACHENCF1ALDH1A1CRHR1
SCHEMBL439708 0.75 MCHR1 (0.43) NR4A2BCHEACHEGRIN1GRIN2A
SCHEMBL439768 0.73 NR4A2 (0.65) NR4A2NCF1ALDH1A1CRHR1KDM4E
SCHEMBL439579 0.73 NR4A2 (0.65) NR4A2NCF1ALDH1A1CRHR1KDM4E
SCHEMBL439576 0.70 NR4A2 (0.54) NR4A2BCHEACHENCF1ALDH1A1

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