SCHEMBL29655507

SCHEMBL29655507

Oc1nc(-c2ccc(F)cc2F)n(-c2ccc(F)cn2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ KMO O15229 2/20 0.35
▸ GRM5 P41594 6/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ AKT1 P31749 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ AGER Q15109 2/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL24407523 1.00 KDM4A (0.35) KDM4AKDM5AKDM4CKDM5BMAPK14
SCHEMBL31392413 0.78 LPAR2 (0.37) KDM4AKDM5AKDM4CKDM5BMAPK14
SCHEMBL24407576 0.78 LPAR2 (0.37) KDM4AKDM5AKDM4CKDM5BMAPK14
SCHEMBL23410328 0.76 CNR1 (0.43) CNR1CNR2
SCHEMBL29998469 0.76 CNR1 (0.43) CNR1CNR2
SCHEMBL24407471 0.75 CNR1 (0.38) MAPK14GRM5CNR1CNR2
SCHEMBL29655506 0.75 CNR1 (0.38) MAPK14GRM5CNR1CNR2
SCHEMBL30558695 0.74 MAPK14 (0.36) MAPK14GRM5CNR1CNR2
SCHEMBL24409743 0.74 P2RX7 (0.37) GRM5CNR2
SCHEMBL30519965 0.74 P2RX7 (0.37) GRM5CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240728-A1 [(5-PHENYL-1-HETEROARYL-1H-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS Bayer Aktiengesellschaft (DE) 2023-09-13 — — EP disclosed
CN-116568136-A [ (5-phenyl-1-heteroaryl-1H-triazol-3-yl) oxy ] acetic acid derivatives as safeners for protecting useful plants and crop plants 拜耳公司 2023-08-08 — — CN disclosed
WO-2022096442-A1 [(5-PHENYL-1-HETEROARYL-1H-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 — — WO disclosed
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