SCHEMBL9613009

SCHEMBL9613009

Cc1ncccc1-c1cccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.48
CKS1B P61024 5/20 0.41
SKP2 Q13309 5/20 0.41
GLO1 Q04760 3/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ACVR1 Q04771 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
COMT P21964 1/20 0.37
PLG P00747 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
METAP2 P50579 1/20 0.35
MAP4K4 O95819 2/20 0.35
CDC7 O00311 1/20 0.35
ROCK2 O75116 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL9613001 0.93 COMT (0.46) DHODHCKS1BSKP2GLO1MKNK1
SCHEMBL18174565 0.91 DHODH (0.45) DHODHMKNK1MKNK2ACVR1PRMT5
SCHEMBL15160994 0.85 DHODH (0.44) DHODHMKNK1MKNK2ACVR1PRMT5
SCHEMBL10016748 0.84 DHODH (0.44) DHODHCKS1BSKP2GLO1MKNK1
SCHEMBL18174796 0.83 DHODH (0.46) DHODHGLO1MKNK1MKNK2PRMT5
SCHEMBL18174607 0.82 DHODH (0.47) DHODHCKS1BSKP2GLO1MKNK1
SCHEMBL21982350 0.82 DHODH (0.47) DHODHCKS1BSKP2GLO1MKNK1
SCHEMBL9612987 0.82 CYP2A6 (0.44) DHODHCKS1BSKP2GLO1ACVR1
SCHEMBL18174795 0.82 DHODH (0.46) DHODHCKS1BSKP2GLO1MKNK1
SCHEMBL10032712 0.82 DHODH (0.49) DHODHMKNK1MKNK2ACVR1PRMT5

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