SCHEMBL9612978

SCHEMBL9612978

Cc1ncccc1-c1ccc(-c2c3ccccc3c(-c3ccc(C4CCCCC4)c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
DHODH Q02127 1/20 0.40
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
FEN1 P39748 8/20 0.36
ALOX5AP P20292 4/20 0.35
NMT1 P30419 1/20 0.35
CAMKK1 Q8N5S9 2/20 0.35
CAMKK2 Q96RR4 2/20 0.35
PDK2 Q15119 2/20 0.33
PDK4 Q16654 2/20 0.33
ABL1 P00519 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 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
SCHEMBL9612848 0.81 DHODH (0.41) PTGS2DHODHPDK2PDK4ABL1
SCHEMBL16189088 0.79 MKNK1 (0.54) PTGS2DHODHMKNK1MKNK2PRMT5
SCHEMBL9612930 0.79 DHODH (0.50) DHODHMKNK1MKNK2
SCHEMBL9612955 0.79 DHODH (0.47) PTGS2DHODHMKNK1MKNK2PRMT5
SCHEMBL9612969 0.79 DHODH (0.47) PTGS2DHODHMKNK1MKNK2PRMT5
SCHEMBL9612906 0.78 CYP2A6 (0.36) PTGS2CAMKK1CAMKK2PDK2PDK4
SCHEMBL18174795 0.77 DHODH (0.46) DHODHMKNK1MKNK2
SCHEMBL18174786 0.75 DHODH (0.47) PTGS2DHODHMKNK1MKNK2PDK2
SCHEMBL9612965 0.75 PDK2 (0.37) PTGS2CAMKK1CAMKK2PDK2PDK4
SCHEMBL9613123 0.75 CAMKK1 (0.34) FEN1ALOX5APCAMKK1CAMKK2

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