SCHEMBL6169034

SCHEMBL6169034

CCCC(=O)N(Cc1ccccc1)c1cc(C(=O)OCC)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 3/20 0.48
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.43
PTGER4 P35408 1/20 0.43
TP53 P04637 1/20 0.42
AR P10275 1/20 0.42
GSTP1 P09211 1/20 0.42
GSTM2 P28161 1/20 0.42

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
SCHEMBL6172670 0.90 KMT2A (0.53) MAPTSMN1; SMN2MAPK1POLBALDH1A1
SCHEMBL6169819 0.90 MAPT (0.46) MAPTSMN1; SMN2MAPK1POLBALDH1A1
SCHEMBL6169177 0.89 MAPT (0.50) MAPTSMN1; SMN2MAPK1POLBALDH1A1
SCHEMBL6169119 0.89 KMT2A (0.46) MAPTSMN1; SMN2MAPK1POLBALDH1A1
SCHEMBL6169818 0.89 MAPT (0.44) MAPTSMN1; SMN2MAPK1POLBALDH1A1
SCHEMBL6172420 0.87 MAPT (0.45) MAPTSMN1; SMN2MAPK1POLBALDH1A1
SCHEMBL6170283 0.87 MAPT (0.45) MAPTSMN1; SMN2MAPK1POLBALDH1A1
SCHEMBL6172637 0.86 MAPT (0.47) MAPTSMN1; SMN2MAPK1POLBALDH1A1
SCHEMBL6172403 0.85 MAPT (0.46) MAPTSMN1; SMN2MAPK1POLBALDH1A1
SCHEMBL6170740 0.85 KMT2A (0.46) MAPTSMN1; SMN2MAPK1POLBALDH1A1

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 3 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
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed