SCHEMBL30605686

SCHEMBL30605686

CC(=O)OOCc1nc(-c2ccc(Cl)cn2)n(-c2ccc(F)cc2F)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 12/20 0.40
▸ PTGER1 P34995 2/20 0.38
▸ CNR2 P34972 5/20 0.38
▸ RIPK1 Q13546 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34

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
SCHEMBL30520057 0.85 P2RX7 (0.38) CNR1PTGER1CNR2RIPK1P2RX7
SCHEMBL24406742 0.77 PTGDR2 (0.41) CNR1PTGER1CNR2RIPK1L3MBTL1
SCHEMBL30609050 0.77 CNR1 (0.40) CNR1PTGER1CNR2P2RX7
SCHEMBL24406744 0.77 CNR1 (0.38) CNR1PTGER1CNR2RIPK1L3MBTL1
SCHEMBL29633458 0.77 CNR1 (0.40) CNR1CNR2RIPK1P2RX7
SCHEMBL24406712 0.77 CNR1 (0.40) CNR1CNR2RIPK1P2RX7
SCHEMBL24406717 0.77 CNR1 (0.39) CNR1CNR2RIPK1L3MBTL1P2RX7
SCHEMBL29102051 0.75 CNR1 (0.39) CNR1PTGER1CNR2MAPK11MAPK14
SCHEMBL30558695 0.73 MAPK14 (0.36) CNR1PTGER1CNR2P2RX7MAPK14
SCHEMBL24406771 0.71 PTGIR (0.34) CNR1CNR2

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-116745285-A [ (1-phenyl-5- (heteroaryl) -1H-1,2, 4-triazol-3-yl) oxy ] acetic acid derivatives as safeners for protecting useful plants and crop plants 拜耳公司 2023-09-12 — — CN disclosed
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