SCHEMBL31148856

SCHEMBL31148856

O=C(Nc1ccc(C(F)(F)F)cc1)C1=C(O)CN(c2ccc(C(F)(F)F)nc2)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.40
SCN8A Q9UQD0 2/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
TRPV4 Q9HBA0 2/20 0.38
XDH P47989 1/20 0.38
MAPT P10636 1/20 0.38
SLC11A2 P49281 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL25253501 1.00 NR3C1 (0.40) NR3C1SCN8ASCN10AHIF1AEPAS1
SCHEMBL24150182 0.92 DGAT2 (0.39) NR3C1SMN1; SMN2
SCHEMBL31148861 0.92 DGAT2 (0.39) NR3C1SMN1; SMN2
SCHEMBL24150143 0.85 NR3C1 (0.41) NR3C1SMN1; SMN2
SCHEMBL26225429 0.82 JAK2 (0.34)
SCHEMBL31162534 0.82 JAK2 (0.34)
SCHEMBL25296799 0.82 DGAT2 (0.38) NR3C1SMN1; SMN2
SCHEMBL30219010 0.82 DGAT2 (0.38) NR3C1SMN1; SMN2
SCHEMBL30468916 0.82 DGAT2 (0.38) NR3C1SMN1; SMN2
SCHEMBL26073868 0.82 DGAT2 (0.38) NR3C1SMN1; SMN2

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-118475561-A Aryltetrahydropyridazine derivatives or salts thereof, pesticides containing the same and methods of use thereof 日本农药株式会社 2024-08-09 CN disclosed