SCHEMBL3350657

SCHEMBL3350657

CC(C)(C)c1nc2c(CC(=O)O)cc(-c3ccc(Oc4ccccc4)cc3)cc2[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.41
ICMT O60725 1/20 0.38
MCL1 Q07820 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
EZH2 Q15910 1/20 0.37
CHEK2 O96017 4/20 0.37
SCN9A Q15858 1/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 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
SCHEMBL3430749 0.92 GAA (0.43) DHODHCHEK2CYP1A2
SCHEMBL3353013 0.83 DHODH (0.45) DHODHPTGDR2CYP1A2CYP3A4CYP2C9
SCHEMBL3346002 0.83 GRIN2D (0.41) DHODHCHEK2CYP1A2
SCHEMBL4727593 0.80 KDM4E (0.41) CYP1A2POLBCYP2C9TSHR
SCHEMBL3346086 0.78 PTGER4 (0.44) DHODHCYP2C9
SCHEMBL3350676 0.75 DHODH (0.43) DHODHMCL1EZH2
SCHEMBL3347753 0.73 DHODH (0.41) DHODHCYP1A2CYP3A4CYP2C9
SCHEMBL3431063 0.69 ALDH1A1 (0.39) CHEK2CYP1A2CYP3A4CYP2C9
SCHEMBL4660837 0.67 KDM4E (0.36) CYP1A2POLBCYP3A4CYP2C9TSHR
SCHEMBL3415925 0.63 CHEK2 (0.44) CHEK2

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-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO disclosed