SCHEMBL9912992

SCHEMBL9912992

CN(c1ccc(-n2c3cc(N(C)c4ccc5ccccc5c4)ccc3c3ccc(N(C)c4ccc5ccccc5c4)cc32)cc1)c1ccc2ccccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PER2 O15055 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ITK Q08881 1/20 0.34
ATM Q13315 1/20 0.34
HTR3A P46098 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR5A P47898 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
KDR P35968 1/20 0.34
PRMT5 O14744 1/20 0.34
MAT2A P31153 1/20 0.34
F2 P00734 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
SCHEMBL279369 0.91 L3MBTL1 (0.46) PER2CRY1CRY2L3MBTL1HTT
SCHEMBL24797177 0.90 KDM4E (0.50) PER2CRY1CRY2L3MBTL1KDM4E
SCHEMBL18565001 0.89 ITK (0.37) KDM4EITKHTR3ASIGMAR1HTR3E
SCHEMBL9912839 0.88 L3MBTL1 (0.35) PER2CRY1CRY2L3MBTL1HTT
SCHEMBL18564991 0.88 KDM4E (0.40) PER2CRY1CRY2L3MBTL1KDM4E
SCHEMBL9912984 0.87 KDR (0.43) L3MBTL1NPSR1KDM4EITKATM
SCHEMBL14465434 0.87 KDM4E (0.42) PER2CRY1CRY2L3MBTL1HTT
SCHEMBL18564811 0.87 KDM4E (0.41) L3MBTL1KDM4EITKATMKDR
SCHEMBL18564741 0.85 PDE5A (0.36) L3MBTL1KDM4EITKATMKDR
SCHEMBL19735331 0.84 KDM4E (0.37) PER2CRY1CRY2L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198801-B2 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed
US-8198801-B2 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed