SCHEMBL20977611

SCHEMBL20977611

Cn1c2ccccc2c2ccc(-c3ccc4c5ccccc5n(N)c4c3)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.55
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
KIF11 P52732 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HPGD P15428 4/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PABPC1 P11940 1/20 0.46
HSD17B10 Q99714 2/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 2/20 0.44

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
SCHEMBL17826892 0.93 RXRA (0.52) GPR3RXRARXRBKIF11L3MBTL1
SCHEMBL16373476 0.89 GPR3 (0.70) GPR3RXRARXRBKIF11L3MBTL1
SCHEMBL19910442 0.88 GPR3 (0.57) GPR3RXRARXRBKIF11L3MBTL1
SCHEMBL12419781 0.85 GPR3 (0.64) GPR3RXRARXRBKIF11L3MBTL1
SCHEMBL24182185 0.84 RXRA (0.44) GPR3RXRARXRBL3MBTL1GAA
SCHEMBL10447279 0.84 GPR3 (0.61) GPR3RXRARXRBKIF11L3MBTL1
SCHEMBL18041968 0.84 RXRA (0.68) GPR3RXRARXRBKIF11L3MBTL1
SCHEMBL883709 0.84 RXRA (0.68) GPR3RXRARXRBKIF11L3MBTL1
SCHEMBL12943203 0.84 RXRA (0.63) GPR3RXRARXRBKIF11L3MBTL1
SCHEMBL12943204 0.84 RXRA (0.63) GPR3RXRARXRBKIF11L3MBTL1

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
EP-3480278-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY APPARATUS Samsung SDI Co., Ltd (KR) 2019-05-08 EP disclosed