SCHEMBL15977438

SCHEMBL15977438

c1ccc(-c2cccnc2-c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.50
PTGS1 P23219 1/20 0.50
FEN1 P39748 1/20 0.44
PIK3CA P42336 1/20 0.41
MKNK1 Q9BUB5 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IMPDH2 P12268 1/20 0.38
DHODH Q02127 5/20 0.37
HTR2B P41595 1/20 0.37
HTR5A P47898 1/20 0.37
TDO2 P48775 1/20 0.37
AKT1 P31749 1/20 0.36
TOP1 P11387 2/20 0.35
MAP4K4 O95819 1/20 0.35
ALK Q9UM73 1/20 0.35
AXL P30530 1/20 0.34
CDK8 P49336 1/20 0.34
TNIK Q9UKE5 1/20 0.34

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
SCHEMBL15977659 1.00 PTGS2 (0.50) PTGS2PTGS1FEN1PIK3CAMKNK1
SCHEMBL10300937 0.94 FEN1 (0.49) PTGS2PTGS1FEN1MKNK1ALDH1A1
SCHEMBL10300900 0.94 PTGS2 (0.49) PTGS2PTGS1FEN1PIK3CAALDH1A1
SCHEMBL15977543 0.90 PTGS1 (0.44) PTGS2PTGS1FEN1PIK3CADHODH
SCHEMBL15977555 0.90 PTGS1 (0.44) PTGS2PTGS1FEN1PIK3CADHODH
SCHEMBL15977468 0.87 PIK3CA (0.49) PTGS2PTGS1PIK3CAMKNK1IMPDH2
SCHEMBL15977867 0.87 PIK3CA (0.49) PTGS2PTGS1PIK3CAMKNK1IMPDH2
SCHEMBL15160986 0.84 CYP2A6 (0.46) PTGS2PTGS1MKNK1DHODHHTR2B
SCHEMBL15977631 0.84 CYP2A6 (0.46) PTGS2PTGS1MKNK1DHODHHTR2B
SCHEMBL15977672 0.84 DHODH (0.49) PTGS2PTGS1PIK3CAMKNK1IMPDH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed