SCHEMBL6172349

SCHEMBL6172349

CCCCS(=O)(=O)NC(=O)c1ccc([N+](=O)[O-])c(NC(C)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
LMNA P02545 4/20 0.42
POLB P06746 2/20 0.42
HCAR3 P49019 2/20 0.41
MAPT P10636 4/20 0.41
MAPK1 P28482 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
NPC1 O15118 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40

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
SCHEMBL6183184 0.97 KMT2A (0.45) KMT2AAKR1C3AKR1C2AKR1C1LMNA
SCHEMBL6168841 0.91 KMT2A (0.57) KMT2ALMNAPOLBHCAR3MAPT
SCHEMBL6171135 0.83 MAPK1 (0.46) KMT2AAKR1C3AKR1C2AKR1C1LMNA
SCHEMBL6182016 0.80 MAPK1 (0.45) KMT2AAKR1C3AKR1C2AKR1C1LMNA
SCHEMBL6168579 0.79 ERAP2 (0.47) MAPTCA1CA9NPC1HTT
SCHEMBL6170076 0.78 PPARG (0.51) KMT2ALMNAMAPTMAPK1NPC1
SCHEMBL6181163 0.76 PPARG (0.55) KMT2ALMNAMAPTMAPK1NPC1
SCHEMBL2690814 0.75 HTT (0.54) KMT2AAKR1C3AKR1C2LMNAPOLB
SCHEMBL4488089 0.74 CASP6 (0.60) KMT2ALMNAHCAR3MAPTALDH1A1
SCHEMBL6170977 0.73 PARP1 (0.53) KMT2ALMNAMAPTHTTALDH1A1

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