SCHEMBL5012015

SCHEMBL5012015

CCCCCCc1cc(-c2ccccc2)n(-c2ccc(C)cc2)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.45
HTT P42858 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MAPK1 P28482 1/20 0.41
MDM2 Q00987 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD11B1 P28845 1/20 0.38
CETP P11597 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
PTPN1 P18031 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
LIPG Q9Y5X9 1/20 0.37

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
SCHEMBL5012580 1.00 CYP2C9 (0.45) CYP2C9HTTCNR1CNR2MAPK1
SCHEMBL13997137 0.83 HTT (0.55) CYP2C9HTTMAPK1MDM2KDM4E
SCHEMBL5010872 0.83 HSD11B1 (0.43) CYP2C9HTTCNR1CNR2MAPK1
SCHEMBL5014187 0.77 HSD11B1 (0.39) CYP2C9HTTCNR1CNR2MAPK1
SCHEMBL12270324 0.77 CNR1 (0.47) HTTCNR1CNR2TDP1HSD11B1
SCHEMBL6849284 0.77 CHRNA7 (0.46) CYP2C9HTTKDM4EALDH1A1TDP1
SCHEMBL5012613 0.76 PTPN1 (0.42) KDM4EALDH1A1HSD11B1PTGS1PTGS2
SCHEMBL5014227 0.74 PTPN1 (0.43) HSD11B1PTPN1
SCHEMBL30763486 0.74 HSD11B1 (0.50) CNR1CNR2KDM4EALDH1A1HSD11B1
SCHEMBL5012548 0.71 CYP2C9 (0.54) CYP2C9HTTMAPK1MDM2KDM4E

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
EP-1389626-B1 Aromatic copolymers of pyrroles and an electroluminescent element using the same KOREA INST SCI & TECH (KR) 2008-12-31 EP disclosed
US-6780950-B2 Pyrrole compounds, polymers thereof and EL element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-08-24 US disclosed
US-20040034189-A1 Pyrrole compounds, polymers thereof and EL element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2004-02-19 US disclosed
EP-1389626-A1 Aromatic copolymers of pyrroles and an electroluminescent element using the same Korea Institute of Science and Technology (KR) 2004-02-18 EP disclosed