SCHEMBL28385085

SCHEMBL28385085

COC(=O)C(=O)c1ccc(Oc2ccc(Br)c(F)c2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 1/20 0.40
▸ LGALS3 P17931 1/20 0.40
▸ SCN9A Q15858 3/20 0.37
▸ SOS1 Q07889 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ KDR P35968 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ CPS1 P31327 1/20 0.35
▸ SLC6A4 P31645 1/20 0.34
▸ GPR35 Q9HC97 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ SCN8A Q9UQD0 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
SCHEMBL22406911 0.88 SCN9A (0.45) SCN9ASOS1JAK2TYK2KDR
SCHEMBL22407112 0.88 CHEK2 (0.42) SCN9ASOS1JAK2TYK2KDR
SCHEMBL22406783 0.84 MAOB (0.45) LGALS8LGALS3SCN9ASOS1JAK2
SCHEMBL22407018 0.84 AKR1C3 (0.40) JAK2TYK2KDRMAPTRAB9A
SCHEMBL22407007 0.84 PPARA (0.43) LGALS8SCN9AJAK2TYK2
SCHEMBL22407111 0.82 KMO (0.48) SCN9AJAK2TYK2KDRMAPT
SCHEMBL28385096 0.81 LMNA (0.47) SCN9AKDRSLC6A4SCN8ASCN10A
SCHEMBL22406946 0.81 FLT1 (0.48) JAK2TYK2KDRMAPTRAB9A
SCHEMBL22407053 0.81 MAPT (0.49) JAK2TYK2KDRMAPTRAB9A
SCHEMBL29380080 0.81 FLT1 (0.48) JAK2TYK2KDRMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032631-B Azole derivative, intermediate compound, process for producing azole derivative, agricultural and horticultural chemical, and industrial material protective agent 株式会社吴羽 2021-05-07 — — CN disclosed
CN-111032631-A Azole derivative, intermediate compound, process for producing azole derivative, agricultural and horticultural chemical, and industrial material protective agent 株式会社吴羽 2020-04-17 — — CN disclosed
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