SCHEMBL5845998

SCHEMBL5845998

C=Cc1ccc(Nc2ccc(-c3ccc(Nc4cccc(-c5ccccc5C)c4)cc3)cc2)cc1-c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
PLA2G7 Q13093 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
CYP1A2 P05177 5/20 0.36
CYP3A4 P08684 5/20 0.36
CYP2D6 P10635 5/20 0.36
TSHR P16473 5/20 0.36
CYP2C19 P33261 5/20 0.36
CLK4 Q9HAZ1 4/20 0.36
PLCG1 P19174 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR7 P34969 2/20 0.35
LCK P06239 1/20 0.35
KDR P35968 1/20 0.35
JAK3 P52333 1/20 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 0.85 CNR1 (0.54) CNR1PLA2G7NR1H4CTSDBACE1
SCHEMBL130523 0.85 CNR1 (0.54) CNR1PLA2G7NR1H4CTSDBACE1
SCHEMBL5843455 0.83 CNR1 (0.47) CNR1PLA2G7NR1H4F2PLG
SCHEMBL5845980 0.81 CNR1 (0.45) CNR1PLA2G7NR1H4F2PLG
SCHEMBL22356061 0.79 CNR1 (0.55) CNR1PLA2G7NR1H4CTSDBACE1
SCHEMBL5844799 0.79 CNR1 (0.48) CNR1NR1H4F2PLGPRSS1
SCHEMBL7716050 0.77 CNR1 (0.49) CNR1PLA2G7NR1H4F2PLG
SCHEMBL7717154 0.77 CNR1 (0.49) CNR1PLA2G7NR1H4F2PLG
SCHEMBL7157798 0.77 PLA2G7 (0.33) PLA2G7CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL27913364 0.76 ALDH1A1 (0.45) CYP1A2CYP3A4TSHRCYP2C19NPSR1

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