SCHEMBL9844799

SCHEMBL9844799

COC(=O)c1ccc(CCCc2cc3c(N)nc(N)nc3[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.47
CYP4F2 P78329 1/20 0.46
GART P22102 4/20 0.44
DHFR P00374 3/20 0.44
FOLR1 P15328 3/20 0.44
FOLR2 P14207 2/20 0.44
SLC46A1 Q96NT5 2/20 0.44
SLC19A1 P41440 1/20 0.44
TP53 P04637 1/20 0.42
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
EGFR P00533 1/20 0.41
FLT1 P17948 1/20 0.41
SCNN1A P37088 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
CCR6 P51684 1/20 0.40
HKDC1 Q2TB90 1/20 0.40

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
SCHEMBL9844839 0.93 EGFR (0.46) CYP4A11CYP4F2DHFRTP53TLR8
SCHEMBL9844981 0.83 EGFR (0.46) CYP4A11CYP4F2DHFRTP53TLR8
SCHEMBL9085311 0.76 NAMPT (0.53) CYP4A11CYP4F2DHFR
SCHEMBL9889382 0.75 DHFR (0.60) DHFRTLR8TLR7
SCHEMBL9339199 0.75 DHFR (0.54) CYP4A11CYP4F2DHFRTP53TLR8
SCHEMBL9225900 0.74 GART (0.73) GARTDHFRFOLR1FOLR2SLC46A1
SCHEMBL9339245 0.73 CYP4A11 (0.55) CYP4A11CYP4F2DHFRTP53TLR8
SCHEMBL9341073 0.72 CYP4A11 (0.53) CYP4A11CYP4F2DHFRTP53TLR8
SCHEMBL12176878 0.72 CYP4A11 (0.70) CYP4A11CYP4F2TP53LOXL2GAA
SCHEMBL18551757 0.70 GART (0.65) GARTDHFRFOLR1FOLR2SLC46A1

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-0438261-A2 Condensed heterocyclic glutamic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-07-24 EP disclosed