SCHEMBL29836482

SCHEMBL29836482

CC(C)(C)OC(=O)N1CCc2ccc(Oc3ccnc4c3c(-c3cc(NC(=O)Oc5ccccc5)no3)cn4COCC[Si](C)(C)C)cc2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ GHSR Q92847 1/20 0.32
▸ BCHE P06276 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ GCK P35557 1/20 0.31
▸ PORCN Q9H237 1/20 0.31
▸ ABCB1 P08183 1/20 0.31

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
SCHEMBL23762270 1.00 NR1H2 (0.34) NR1H2ACACBJAK2JAK3PTK2
SCHEMBL23762272 0.93 ACACB (0.33) NR1H2ACACBJAK2JAK3PTK2
SCHEMBL23751229 0.93 MAPT (0.34) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL23762097 0.91 ACHE (0.39) NR1H2ACACBJAK2JAK3PTK2
SCHEMBL23751127 0.89 NR1H2 (0.37) NR1H2ACACBJAK2JAK3PTK2
SCHEMBL29836527 0.87 NR1H2 (0.41) NR1H2ACACBJAK2JAK3PTK2
SCHEMBL23762208 0.87 NR1H2 (0.41) NR1H2ACACBJAK2JAK3PTK2
SCHEMBL23762188 0.87 KDM4E (0.38) NR1H2ACACBMAPTKDM4EALDH1A1
SCHEMBL23751196 0.85 NR1H2 (0.36) NR1H2ACACBJAK2JAK3PTK2
SCHEMBL23762199 0.83 NR1H2 (0.40) NR1H2ACACBJAK2JAK3PTK2

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
EP-3807273-B1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2022-08-03 — — EP disclosed
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