SCHEMBL29836554

SCHEMBL29836554

Cc1ccc(S(=O)(=O)n2cc(-c3ccnc(NC(=O)C4CC4)c3)c3c(Oc4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)ccnc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.38
▸ IGF1R P08069 1/20 0.36
▸ UCHL1 P09936 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ WNT3A P56704 2/20 0.35
▸ RAF1 P04049 6/20 0.34
▸ BRAF P15056 6/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ MAPT P10636 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
SCHEMBL21593192 1.00 NR1H2 (0.38) NR1H2IGF1RUCHL1NPC1RAB9A
SCHEMBL23762175 0.97 UCHL1 (0.35) NR1H2IGF1RUCHL1NPC1RAB9A
SCHEMBL23762161 0.96 PIP5K1C (0.36) NR1H2IGF1RUCHL1NPC1RAB9A
SCHEMBL23751185 0.92 MAPT (0.37) PIK3C3MAPT
SCHEMBL21593191 0.92 NR1H2 (0.38) NR1H2IGF1RHDAC8WNT3AMMP1
SCHEMBL21593118 0.91 NR1H2 (0.36) NR1H2IGF1RMMP1MMP13ADAM17
SCHEMBL21593189 0.90 NR1H2 (0.37) NR1H2IGF1RHDAC8WNT3AMAPT
SCHEMBL23762177 0.90 WNT3A (0.35) NR1H2IGF1RUCHL1NPC1RAB9A
SCHEMBL23762216 0.90 ACACB (0.36) NR1H2IGF1RNPC1RAB9AHDAC8
SCHEMBL21593221 0.90 UCHL1 (0.36) NR1H2IGF1RUCHL1HDAC8WNT3A

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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