SCHEMBL3350676

SCHEMBL3350676

Cc1nc2c(CCCC(=O)O)cc(-c3ccc(Oc4ccccc4)cc3)cc2[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.43
FFAR4 Q5NUL3 4/20 0.43
FFAR1 O14842 4/20 0.43
EZH2 Q15910 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
GPR17 Q13304 1/20 0.38
PTGER4 P35408 1/20 0.37
LTB4R Q15722 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL3350657 0.75 DHODH (0.41) DHODHEZH2MCL1
SCHEMBL3430623 0.70 FFAR1 (0.43) DHODHFFAR4FFAR1PTGER4KDM4E
SCHEMBL3346086 0.69 PTGER4 (0.44) DHODHGRIN1GRIN2BGPR17PTGER4
SCHEMBL3352922 0.69 GSK3B (0.38) DHODHFFAR4FFAR1PTGER4
SCHEMBL31424869 0.67 RHEB (0.42) DHODHGRIN1GRIN2B
SCHEMBL9372308 0.66 PDE3B (0.55)
SCHEMBL31424666 0.65 SLC6A4 (0.38) DHODHGRIN1GRIN2B
SCHEMBL9371196 0.65 PDE3B (0.56)
SCHEMBL31424682 0.65 GRIN1 (0.37) DHODHGRIN1GRIN2B
SCHEMBL31424693 0.65 GRIN1 (0.37) DHODHGRIN1GRIN2B

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