SCHEMBL438834

SCHEMBL438834

CCCc1cc(N)c2cc(C)cc(Cl)c2n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.50
NOS3 P29474 2/20 0.50
NOS1 P29475 1/20 0.50
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MCHR1 Q99705 7/20 0.39
NR4A2 P43354 1/20 0.39
ASIC3 Q9UHC3 1/20 0.37
BACE1 P56817 1/20 0.36
MAPT P10636 1/20 0.36
HSP90AB1 P08238 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
SCHEMBL439708 0.86 MCHR1 (0.43) NOS2NOS3NOS1ALDH1A1MCHR1
SCHEMBL437498 0.82 NOS2 (0.50) NOS2NOS3NOS1KDM4EALDH1A1
SCHEMBL439825 0.79 NR4A2 (0.60) NOS2NOS3NOS1KDM4EMCHR1
SCHEMBL438887 0.79 MCHR1 (0.44) NOS2NOS3NOS1KDM4EALDH1A1
SCHEMBL439885 0.78 NOS3 (0.41) NOS2NOS3NOS1MCHR1NR4A2
SCHEMBL440270 0.77 NR4A2 (0.62) NOS2NOS3NOS1KDM4EALDH1A1
SCHEMBL440057 0.76 NOS2 (0.42) NOS2NOS3NOS1KDM4EALDH1A1
SCHEMBL438225 0.76 MCHR1 (0.42) NOS2NOS3NOS1MCHR1NR4A2
SCHEMBL438576 0.73 MCHR1 (0.49) NOS2NOS3NOS1MCHR1ASIC3
SCHEMBL441787 0.72 MCHR1 (0.37) NOS2NOS3NOS1MCHR1ASIC3

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