SCHEMBL21040865

SCHEMBL21040865

COc1cccc2cc(S(=O)(=O)c3ccc(Br)cc3)c(=O)oc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.67
TP53 P04637 2/20 0.67
CA12 O43570 3/20 0.67
CA1 P00915 3/20 0.67
CA2 P00918 3/20 0.67
CA9 Q16790 3/20 0.67
HTT P42858 1/20 0.56
MAPT P10636 3/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 1/20 0.54
PKM P14618 4/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAOB P27338 1/20 0.50

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
SCHEMBL21032748 0.89 HTT (0.69) RXFP1TP53CA12CA1CA2
SCHEMBL21032749 0.89 RXFP1 (0.69) RXFP1TP53CA12CA1CA2
SCHEMBL21033053 0.87 RXFP1 (0.81) RXFP1TP53CA12CA1CA2
SCHEMBL21033051 0.87 CA12 (0.65) RXFP1TP53CA12CA1CA2
SCHEMBL21032939 0.86 CA12 (0.68) RXFP1TP53CA12CA1CA2
SCHEMBL21032750 0.86 CA12 (0.64) RXFP1TP53CA12CA1CA2
SCHEMBL21032751 0.84 CA12 (0.65) RXFP1TP53CA12CA1CA2
SCHEMBL21033392 0.84 CA12 (0.68) RXFP1TP53CA12CA1CA2
SCHEMBL21032936 0.83 CA12 (0.64) RXFP1TP53CA12CA1CA2
SCHEMBL21033647 0.83 CA12 (0.67) RXFP1TP53CA12CA1CA2

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-2019104199-A1 SMALL MOLECULE AGONISTS AND ANTAGONISTS OF NR2F6 ACTIVITY REGEN BIOPHARMA INC. (US) 2019-05-31 WO disclosed