SCHEMBL29059356

SCHEMBL29059356

O=C(Nc1cccc(C(F)(F)F)c1)c1cn[nH]c1-c1ccccc1F

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 2/20 0.79
▸ GAA P10253 1/20 0.65
▸ AHR P35869 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ RXFP1 Q9HBX9 15/20 0.55
▸ P2RX1 P51575 1/20 0.54
▸ PTGS1 P23219 1/20 0.53

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
SCHEMBL29059173 0.88 EPAS1 (1.00) EPAS1GAAAHRHSD17B10RXFP1
SCHEMBL29059231 0.84 EPAS1 (0.71) EPAS1GAAAHRHSD17B10RXFP1
SCHEMBL29438459 0.79 GAA (1.00) EPAS1GAAAHRHSD17B10RXFP1
SCHEMBL23853488 0.79 GAA (1.00) EPAS1GAAAHRHSD17B10RXFP1
SCHEMBL29058672 0.78 EPAS1 (0.59) EPAS1GAAAHRHSD17B10RXFP1
SCHEMBL29058666 0.77 EPAS1 (0.58) EPAS1GAAAHRHSD17B10RXFP1
SCHEMBL30395854 0.77 EPAS1 (0.58) EPAS1GAAAHRHSD17B10RXFP1
SCHEMBL29058684 0.76 EPAS1 (0.80) EPAS1GAAAHRHSD17B10P2RX1
SCHEMBL30395193 0.76 EPAS1 (0.80) EPAS1GAAAHRHSD17B10P2RX1
SCHEMBL5934086 0.75 MEN1 (0.58) EPAS1RXFP1

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
CN-116236478-A Application of aromatic heterocyclic formamide compound 浙江大学 2023-06-09 — — CN disclosed
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