SCHEMBL12443774

SCHEMBL12443774

c1ccc(-c2cn(-c3ccc(-n4c5ccccc5c5ccsc54)cc3)c3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ ESR1 P03372 2/20 0.34
▸ ESRRA P11474 2/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL9889080 0.85 KDM4E (0.55) PTGER1KDM4EPOLBDYRK1ACTDSP1
SCHEMBL22924443 0.80 L3MBTL1 (0.61) KDM4EPOLBL3MBTL1ATMALDH1A1
SCHEMBL1883807 0.77 KDM4E (0.58) PTGER1KDM4EPOLBDYRK1ACTDSP1
SCHEMBL12443831 0.75 L3MBTL1 (0.42) KDM4EPOLBL3MBTL1ATMALDH1A1
SCHEMBL12443243 0.75 KDM4E (0.44) KDM4EPOLBL3MBTL1ATM
SCHEMBL10331706 0.75 KDM4E (0.50) PTGER1KDM4EPOLBDYRK1ACTDSP1
SCHEMBL12443226 0.74 L3MBTL1 (0.41) KDM4EPOLBL3MBTL1ATMALDH1A1
SCHEMBL12443853 0.74 L3MBTL1 (0.49) KDM4EPOLBL3MBTL1ATMALDH1A1
SCHEMBL15887930 0.74 KDM4E (0.47) PTGER1KDM4EPOLBDYRK1ACTDSP1
SCHEMBL15887952 0.74 KDM4E (0.47) PTGER1KDM4EPOLBDYRK1ACTDSP1

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
WO-2011099718-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-08-18 — — WO disclosed
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