SCHEMBL6170076

SCHEMBL6170076

CCCCS(=O)(=O)NC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(Cl)cc2Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 3/20 0.41
PKM P14618 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 2/20 0.40
NLRP1 Q9C000 1/20 0.40
HTT P42858 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
SCHEMBL6181163 0.97 PPARG (0.55) PPARGHDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL6172090 0.85 PPARG (0.54) PPARGHDAC1HDAC8HDAC6LMNA
SCHEMBL27490090 0.84 HDAC8 (0.49) PPARGHDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL6134825 0.82 PPARG (0.58) PPARGHDAC1HDAC8HDAC6LMNA
SCHEMBL6170525 0.79 HDAC1 (0.52) HDAC1HDAC8HDAC6SMN1; SMN2NPC1
SCHEMBL6172349 0.78 KMT2A (0.46) SMN1; SMN2ALDH1A1LMNAHPGDNPC1
SCHEMBL6298861 0.78 KMT2A (0.55) HDAC1HDAC8HDAC6SMN1; SMN2ALDH1A1
SCHEMBL6171135 0.77 MAPK1 (0.46) PPARGHDAC8ALDH1A1LMNAHPGD
SCHEMBL6183184 0.76 KMT2A (0.45) PPARGSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL6182016 0.74 MAPK1 (0.45) PPARGSMN1; SMN2ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed