SCHEMBL9612804

SCHEMBL9612804

CCc1ccc(-c2c3ccccc3c(-c3ccc(-c4cccnc4-c4ccccc4)cc3)c3ccccc23)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.50
PTGS1 P23219 2/20 0.50
FEN1 P39748 1/20 0.40
DHODH Q02127 8/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CKS1B P61024 1/20 0.36
GLO1 Q04760 1/20 0.36
SKP2 Q13309 1/20 0.36
USP7 Q93009 2/20 0.33
S1PR3 Q99500 1/20 0.33
PDK1 Q15118 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
SCHEMBL9612974 0.87 MAPK11 (0.37) PTGS2PTGS1DHODHALDH1A1HSD17B10
SCHEMBL9612977 0.85 DHODH (0.46) PTGS2PTGS1FEN1DHODHCKS1B
SCHEMBL9612842 0.83 PTGS2 (0.50) PTGS2PTGS1FEN1DHODHALDH1A1
SCHEMBL9612807 0.81 PTGS2 (0.50) PTGS2PTGS1FEN1DHODHALDH1A1
SCHEMBL9613110 0.76 MAPK9 (0.44) PTGS2PTGS1FEN1DHODH
SCHEMBL15977438 0.76 PTGS2 (0.50) PTGS2PTGS1FEN1DHODHALDH1A1
SCHEMBL15977659 0.76 PTGS2 (0.50) PTGS2PTGS1FEN1DHODHALDH1A1
SCHEMBL10300937 0.76 FEN1 (0.49) PTGS2PTGS1FEN1DHODHALDH1A1
SCHEMBL10300900 0.76 PTGS2 (0.49) PTGS2PTGS1FEN1DHODHALDH1A1
SCHEMBL10016888 0.75 CYP1A2 (0.38) PTGS2PTGS1FEN1DHODHALDH1A1

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-2012070535-A1 ELECTRON TRANSPORT MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME JNC株式会社 (JP) 2012-05-31 WO disclosed