SCHEMBL30878014

SCHEMBL30878014

COC(CN(Cc1ccc(Cl)c(Br)c1)S(=O)(=O)c1ccc(C)cc1)OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.50
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
BACE1 P56817 1/20 0.40
THRB P10828 1/20 0.40
RORC P51449 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
PKM P14618 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL19644024 1.00 CNR2 (0.50) CNR2MAPTALDH1A1CA12CA1
SCHEMBL1571490 0.91 CNR2 (0.50) CNR2MAPTCA12CA1CA2
SCHEMBL16636846 0.89 CNR2 (0.51) CNR2MAPTALDH1A1CA12CA1
SCHEMBL1571343 0.87 CNR2 (0.43) CNR2MAPTCA12CA1CA2
SCHEMBL29407317 0.87 CNR2 (0.43) CNR2MAPTCA12CA1CA2
SCHEMBL25307327 0.84 MAPT (0.45) CNR2MAPTALDH1A1CA12CA1
SCHEMBL30609120 0.84 CNR2 (0.43) CNR2MAPTCA12CA1CA2
SCHEMBL1411474 0.84 CNR2 (0.50) CNR2MAPTALDH1A1THRBRORC
SCHEMBL30701970 0.84 CNR2 (0.50) CNR2MAPTALDH1A1THRBRORC
SCHEMBL12205672 0.84 CNR2 (0.56) CNR2MAPTBACE1TAS2R14PKM

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
CN-112165944-B Imidazopiperazine inhibitors of transcriptional activator proteins 德州大学系统董事会 2024-04-09 CN disclosed