SCHEMBL21593189

SCHEMBL21593189

Cc1ccc(S(=O)(=O)n2cc(-c3ccnc(NC=O)c3)c3c(Oc4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)ccnc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.37
▸ ESR2 Q92731 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ IGF1R P08069 1/20 0.32
▸ GCK P35557 3/20 0.32
▸ KIT P10721 1/20 0.32
▸ WNT3A P56704 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GPR119 Q8TDV5 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HDAC8 Q9BY41 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
SCHEMBL21593191 0.93 NR1H2 (0.38) NR1H2ESR2HTR6ACACBALDH1A1
SCHEMBL21593192 0.90 NR1H2 (0.38) NR1H2IGF1RWNT3AMAPTHDAC8
SCHEMBL29836554 0.90 NR1H2 (0.38) NR1H2IGF1RWNT3AMAPTHDAC8
SCHEMBL21593108 0.90 NR1H2 (0.42) NR1H2ESR2HTR6ACACBALDH1A1
SCHEMBL21593106 0.90 NR1H2 (0.39) NR1H2ESR2HTR6ACACBALDH1A1
SCHEMBL21593118 0.89 NR1H2 (0.36) NR1H2HTR6ACACBIGF1RGPR119
SCHEMBL23762175 0.89 UCHL1 (0.35) NR1H2IGF1RGCKWNT3AMEN1
SCHEMBL23762177 0.88 WNT3A (0.35) NR1H2ESR2HTR6ACACBIGF1R
SCHEMBL21593076 0.88 ACHE (0.39) NR1H2HTR6ACACBALDH1A1HPGD
SCHEMBL23762216 0.88 ACACB (0.36) NR1H2ESR2HTR6ACACBIGF1R

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
WO-2019238628-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2019-12-19 — — WO disclosed
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