SCHEMBL10032685

SCHEMBL10032685

Cc1ncccc1-c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.50
ABL1 P00519 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
TOP1 P11387 2/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
MAT2A P31153 1/20 0.37
PSMB5 P28074 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL10032712 0.94 DHODH (0.49) DHODHABL1MKNK1MKNK2PTGS1
SCHEMBL10032759 0.93 DHODH (0.48) DHODHABL1MKNK1MKNK2CYP17A1
SCHEMBL10032694 0.90 DHODH (0.48) DHODHABL1MKNK1MKNK2PTGS1
SCHEMBL15977587 0.90 DHODH (0.46) DHODHABL1MKNK1MKNK2CYP17A1
SCHEMBL15161075 0.89 DHODH (0.49) DHODHABL1MKNK1MKNK2TOP1
SCHEMBL15977672 0.89 DHODH (0.49) DHODHABL1MKNK1MKNK2TOP1
SCHEMBL15160993 0.88 DHODH (0.46) DHODHABL1MKNK1MKNK2CYP17A1
SCHEMBL18174607 0.86 DHODH (0.47) DHODHABL1MKNK1MKNK2TOP1
SCHEMBL10032656 0.86 DHODH (0.43) DHODHABL1CYP17A1CYP19A1CYP11B1
SCHEMBL16189088 0.85 MKNK1 (0.54) DHODHMKNK1MKNK2PTGS1PTGS2

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-2012060374-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME JNC株式会社 (JP) 2012-05-10 WO disclosed