SCHEMBL9612977

SCHEMBL9612977

CCc1ccc(-c2c3ccccc3c(-c3ccc(-c4cccnc4C)cc3)c3ccccc23)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
METAP2 P50579 1/20 0.36
COMT P21964 1/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
CKS1B P61024 2/20 0.34
SKP2 Q13309 2/20 0.34
GLO1 Q04760 1/20 0.34
VHL P40337 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
APLNR P35414 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL9612804 0.85 PTGS2 (0.50) DHODHPTGS1PTGS2CKS1BSKP2
SCHEMBL16189088 0.84 MKNK1 (0.54) DHODHMKNK1MKNK2PRMT5WDR77
SCHEMBL9612969 0.83 DHODH (0.47) DHODHMKNK1MKNK2PRMT5WDR77
SCHEMBL18174795 0.82 DHODH (0.46) DHODHMKNK1MKNK2COMTCKS1B
SCHEMBL9612974 0.82 MAPK11 (0.37) DHODHPTGS1PTGS2CA12CA1
SCHEMBL9612955 0.81 DHODH (0.47) DHODHMKNK1MKNK2PRMT5WDR77
SCHEMBL9612930 0.81 DHODH (0.50) DHODHMKNK1MKNK2CA12CA1
SCHEMBL18174786 0.80 DHODH (0.47) DHODHMKNK1MKNK2PRMT5WDR77
SCHEMBL18174774 0.79 PTGS2 (0.47) DHODHMKNK1MKNK2COMTPTGS2
SCHEMBL10016748 0.79 DHODH (0.44) DHODHMKNK1MKNK2COMTPTGS1

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