SCHEMBL5845967

SCHEMBL5845967

Cc1ccccc1-c1cccc(Nc2ccc(Br)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
MAPT P10636 3/20 0.44
RAPGEF4 Q8WZA2 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
HTR7 P34969 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
AR P10275 1/20 0.41
TSHR P16473 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
APP P05067 1/20 0.41
FFAR1 O14842 2/20 0.40
TP53 P04637 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39

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
SCHEMBL5844799 0.97 CNR1 (0.48) CNR1MAPTRAPGEF4NPSR1NR1H4
SCHEMBL130523 0.89 CNR1 (0.54) CNR1MAPTNPSR1NR1H4HTR7
SCHEMBL30232756 0.89 CNR1 (0.54) CNR1MAPTNPSR1NR1H4HTR7
SCHEMBL22356061 0.88 CNR1 (0.55) CNR1MAPTNPSR1NR1H4HTR7
SCHEMBL5845980 0.84 CNR1 (0.45) CNR1MAPTNPSR1NR1H4HTR7
SCHEMBL7716050 0.83 CNR1 (0.49) CNR1MAPTNPSR1NR1H4HTR7
SCHEMBL7717154 0.83 CNR1 (0.49) CNR1MAPTNPSR1NR1H4HTR7
SCHEMBL12549993 0.82 ALDH1A1 (0.54) CNR1MAPTNPSR1NR1H4MEN1
SCHEMBL7717705 0.81 CNR1 (0.50) CNR1MAPTNPSR1NR1H4HTR7
SCHEMBL5843455 0.81 CNR1 (0.47) CNR1MAPTNPSR1NR1H4HTR7

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