SCHEMBL5845980

SCHEMBL5845980

Cc1ccccc1-c1cccc(Nc2ccc(-c3ccc(Nc4ccc(Br)c(-c5ccccc5C)c4)cc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
PLA2G7 Q13093 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
HTR7 P34969 3/20 0.38
MAPK14 Q16539 1/20 0.37
LMNA P02545 1/20 0.37
FFAR1 O14842 2/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
AR P10275 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35

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
SCHEMBL30232756 0.89 CNR1 (0.54) CNR1PLA2G7NR1H4NPSR1MAPT
SCHEMBL130523 0.89 CNR1 (0.54) CNR1PLA2G7NR1H4NPSR1MAPT
SCHEMBL5844799 0.87 CNR1 (0.48) CNR1NR1H4NPSR1MAPTTP53
SCHEMBL5845967 0.84 CNR1 (0.50) CNR1NR1H4NPSR1MAPTTP53
SCHEMBL22356061 0.82 CNR1 (0.55) CNR1PLA2G7NR1H4NPSR1MAPT
SCHEMBL5845998 0.81 CNR1 (0.43) CNR1PLA2G7NR1H4NPSR1HTR7
SCHEMBL12549993 0.79 ALDH1A1 (0.54) CNR1PLA2G7NR1H4NPSR1MAPT
SCHEMBL2930282 0.78 CNR1 (0.45) CNR1NR1H4NPSR1MAPTHTR7
SCHEMBL7716050 0.77 CNR1 (0.49) CNR1PLA2G7NR1H4NPSR1MAPT
SCHEMBL7717154 0.77 CNR1 (0.49) CNR1PLA2G7NR1H4NPSR1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101630-B2 Diarylamino group-containing copolymer, organic electroluminescent device, and method of producing hole transport layer for organic electroluminescent device KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2006-09-05 US disclosed
US-20050008893-A1 Diarylamino group-containing copolymer, organic electroluminescent device, and method of producing hole transport layer for organic electroluminescent device KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2005-01-13 US disclosed
US-20010017155-A1 Of monovinylated triarylamine monomers; use in light emitting diodes or as components of photorefractive materials CALIFORNIA INSTITUTE OF TECHNOLOGY 2001-08-30 US disclosed