SCHEMBL6168617

SCHEMBL6168617

CCCCN(C(=O)CCC)c1cc(C(=O)OCC)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 3/20 0.50
PKM P14618 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
KMT2A Q03164 2/20 0.48
LMNA P02545 3/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.45
PTGER4 P35408 1/20 0.45
ESR1 P03372 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GSTP1 P09211 2/20 0.41
GSTM2 P28161 2/20 0.41
THRB P10828 2/20 0.41
THRA P10827 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
SCHEMBL6169034 0.84 MAPT (0.48) ALDH1A1MAPTRAB9ANPC1PKM
SCHEMBL6170343 0.84 ALDH1A1 (0.54) ALDH1A1MAPTRAB9ANPC1PKM
SCHEMBL6168985 0.83 ALDH1A1 (0.51) ALDH1A1MAPTRAB9ANPC1PKM
SCHEMBL6172670 0.82 KMT2A (0.53) ALDH1A1MAPTRAB9ANPC1PKM
SCHEMBL6169819 0.82 MAPT (0.46) ALDH1A1MAPTRAB9ANPC1PKM
SCHEMBL6170740 0.81 KMT2A (0.46) ALDH1A1MAPTRAB9ANPC1PKM
SCHEMBL6172420 0.81 MAPT (0.45) ALDH1A1MAPTRAB9ANPC1PKM
SCHEMBL6170283 0.81 MAPT (0.45) ALDH1A1MAPTRAB9ANPC1PKM
SCHEMBL6172403 0.80 MAPT (0.46) ALDH1A1MAPTRAB9ANPC1PKM
SCHEMBL6169119 0.80 KMT2A (0.46) ALDH1A1MAPTRAB9ANPC1PKM

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