SCHEMBL5844799

SCHEMBL5844799

Cc1ccccc1-c1cccc(Nc2ccc(-c3ccc(Br)cc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAPGEF4 Q8WZA2 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTR7 P34969 2/20 0.40
MAPK1 P28482 1/20 0.40
SYK P43405 1/20 0.40
APP P05067 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
AR P10275 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
FFAR1 O14842 2/20 0.38

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
SCHEMBL5845967 0.97 CNR1 (0.50) CNR1MAPTTSHRNPC1RAB9A
SCHEMBL30232756 0.92 CNR1 (0.54) CNR1MAPTTSHRNR1H4NPSR1
SCHEMBL130523 0.92 CNR1 (0.54) CNR1MAPTTSHRNR1H4NPSR1
SCHEMBL5845980 0.87 CNR1 (0.45) CNR1MAPTTSHRNR1H4NPSR1
SCHEMBL22356061 0.86 CNR1 (0.55) CNR1MAPTTSHRNR1H4NPSR1
SCHEMBL12549993 0.82 ALDH1A1 (0.54) CNR1MAPTTSHRNR1H4NPSR1
SCHEMBL2930282 0.82 CNR1 (0.45) CNR1MAPTTSHRNR1H4NPSR1
SCHEMBL24079110 0.81 ALDH1A1 (0.56) MAPTTSHRNPSR1ALDH1A1MAPK1
SCHEMBL7716050 0.81 CNR1 (0.49) CNR1MAPTTSHRNR1H4NPSR1
SCHEMBL7717154 0.81 CNR1 (0.49) CNR1MAPTTSHRNR1H4NPSR1

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