SCHEMBL9233264

SCHEMBL9233264

CCCCc1nc(C)c(Cc2cccc(C(=O)OC)c2)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.47
TLR7 Q9NYK1 3/20 0.45
TLR8 Q9NR97 1/20 0.45
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DHFR P00374 1/20 0.43
RNASEH1 O60930 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
PARP1 P09874 1/20 0.42
MPO P05164 1/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL9238060 0.97 DHODH (0.48) DHODHTLR7TLR8CYP4F2CYP4A11
SCHEMBL9231896 0.94 DHODH (0.46) DHODHTLR7TLR8CYP4F2CYP4A11
SCHEMBL9233991 0.89 DHFR (0.48) DHODHTLR7TLR8CYP4F2CYP4A11
SCHEMBL9237953 0.89 DHODH (0.44) DHODHTLR7TLR8CYP4F2CYP4A11
SCHEMBL9234662 0.84 AR (0.50) DHODHTLR7TLR8CYP4F2CYP4A11
SCHEMBL9236088 0.84 LOXL2 (0.49) DHODHCYP4F2CYP4A11POLBKMT2A
SCHEMBL9237287 0.83 DHFR (0.46) DHODHTLR7TLR8CYP4F2CYP4A11
SCHEMBL9236494 0.82 DHFR (0.52) DHODHTLR7TLR8CYP4F2CYP4A11
SCHEMBL1892647 0.82 IL4I1 (0.51) POLBKMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL9230396 0.81 AR (0.53) DHODHCYP4A11POLBKMT2AL3MBTL1

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
EP-0685467-A1 NOVEL PYRIMIDINE DERIVATIVE AND MEDICINAL COMPOSITION NKK CORPORATION (JP) 1995-12-06 EP disclosed