SCHEMBL13658689

SCHEMBL13658689

O=C(NCc1ccccc1)c1ccc2cc(NS(=O)(=O)c3cc(Cl)cc(I)c3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ NR1H4 Q96RI1 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GPR27 Q9NS67 1/20 0.46
▸ KCNA5 P22460 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL1317912 0.93 MAPT (0.53) MAPTNR1H4TDP1HTTMEN1
SCHEMBL1320740 0.83 KMT2A (0.53) MAPTNR1H4TDP1HTTMEN1
SCHEMBL12119362 0.81 GAA (0.45) MAPTTDP1GPR27ALDH1A1SMN1; SMN2
SCHEMBL13658789 0.80 CHEK2 (0.45) GPR27ALDH1A1SMN1; SMN2GAAPGR
SCHEMBL12115916 0.78 GPR27 (0.70) MAPTTDP1MEN1KMT2AGPR27
SCHEMBL1110300 0.77 POLB (0.48) HTTGPR27ALDH1A1SMN1; SMN2GAA
SCHEMBL1320525 0.76 KCNA5 (0.52) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL1110224 0.75 AKR1C3 (0.60) MEN1KMT2AGPR27ALDH1A1SMN1; SMN2
SCHEMBL11902028 0.74 NR1H4 (0.79) NR1H4ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL12115929 0.74 CPT1A (0.50) GPR27ALDH1A1SMN1; SMN2GAAPGR

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-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 — — WO disclosed
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