SCHEMBL28800360

SCHEMBL28800360

Cc1nn(C)c(=O)c(-c2c(F)ccc(Cl)c2CCc2ccc(-n3cncn3)cc2)c1C(C)(C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
BRS3 P32247 1/20 0.33
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL28440898 0.87 CYP1A2 (0.36) MAPTSMN1; SMN2
SCHEMBL22906243 0.86 RAB9A (0.35) RAB9ARXFP1BRS3DPP4DPP8
SCHEMBL29263838 0.84 PTGDR2 (0.34)
SCHEMBL28800350 0.83 CCR3 (0.35)
SCHEMBL22031797 0.83 CYP1A2 (0.33) MAPTSMN1; SMN2
SCHEMBL29216938 0.83 SMN1; SMN2 (0.35) RAB9ARXFP1HSP90AA1MAPTHTT
SCHEMBL22906276 0.81 RAB9A (0.33) RAB9ARXFP1BRS3HSP90AA1MAPT
SCHEMBL28448562 0.80 CNR1 (0.36)
SCHEMBL29263851 0.80 SLC22A12 (0.31)
SCHEMBL28728515 0.79 SLC22A12 (0.34)

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-114555563-A Substituted pyridazinones as herbicides 先正达农作物保护股份公司 2022-05-27 CN disclosed