SCHEMBL7761115

SCHEMBL7761115

CCOc1ccc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)cc1OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
HDAC6 Q9UBN7 1/20 0.47
GUSB P08236 1/20 0.45
HPSE Q9Y251 3/20 0.43
RECQL P46063 2/20 0.42
BLM P54132 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41

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
SCHEMBL7760514 0.86 CHEK2 (0.56) MAPTHDAC6GUSBRECQLBLM
SCHEMBL7756164 0.85 ALOX5 (0.55) MAPTHDAC6GUSBMEN1KMT2A
SCHEMBL7756156 0.84 HDAC6 (0.49) MAPTHDAC6GUSBRECQLBLM
SCHEMBL7760718 0.83 HDAC6 (0.52) MAPTHDAC6ALDH1A1SMN1; SMN2HPGD
SCHEMBL9166025 0.82 MAPT (0.53) MAPTHDAC6GUSBRECQLBLM
SCHEMBL318730 0.81 HDAC6 (0.67) HDAC6PTPN5CHEK2SCD
SCHEMBL6578557 0.80 MAPT (0.47) MAPTHDAC6GUSBHPSEALDH1A1
SCHEMBL25808586 0.78 HDAC6 (0.59) MAPTHDAC6HPSEMEN1KMT2A
SCHEMBL7759314 0.78 HDAC6 (0.66) MAPTHDAC6RECQLBLMMEN1
SCHEMBL7760694 0.77 SMN1; SMN2 (0.57) MAPTHDAC6MEN1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579827-B1 METHOD OF PREPARING 2-ARYLBENZIMIDAZOLE 5-SULPHONIC ACIDS MERCK PATENT GMBH (DE) 2001-04-18 EP disclosed
US-5473079-A Process for preparing 2-arylbenzimidazole-5-sulfonic acids MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-12-05 US disclosed