SCHEMBL441438

SCHEMBL441438

CCCc1cc(N)c2c(OC)ccc(Cl)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
MCHR1 Q99705 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSP90AA1 P07900 2/20 0.34
PGK1 P00558 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
SCHEMBL436991 0.86 NOS3 (0.41) MAPTLMNANOS3NOS1NOS2
SCHEMBL438207 0.79 MAPT (0.53) MAPTMEN1KMT2AGAANPC1
SCHEMBL441787 0.77 MCHR1 (0.37) MAPTMAPK1MEN1LMNAKMT2A
SCHEMBL439849 0.76 POLB (0.43) MAPTKDM4ELMNANOS3NOS1
SCHEMBL438754 0.72 HSP90AB1 (0.52) KDM4ESMN1; SMN2HSD17B10MCHR1ALDH1A1
SCHEMBL438225 0.71 MCHR1 (0.42) MAPTLMNANOS3NOS1NOS2
SCHEMBL439825 0.71 NR4A2 (0.60) MAPTKDM4ENOS3NOS1NOS2
SCHEMBL439885 0.70 NOS3 (0.41) NOS3NOS1NOS2NPC1MCHR1
SCHEMBL439708 0.70 MCHR1 (0.43) MAPTLMNANOS3NOS1NOS2
SCHEMBL441901 0.67 MCHR1 (0.43) MAPTKDM4ELMNANOS3NOS1

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