SCHEMBL6168620

SCHEMBL6168620

CCCCCCCC(=O)Nc1cc(C(=O)OCC)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 6/20 0.56
MAPT P10636 4/20 0.56
RAB9A P51151 2/20 0.56
CRHBP P24387 2/20 0.56
CRHR2 Q13324 2/20 0.56
NPC1 O15118 1/20 0.56
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
PTGER4 P35408 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ESR1 P03372 1/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL6170345 0.95 KMT2A (0.59) KMT2AALDH1A1MAPTRAB9ACRHBP
SCHEMBL6171410 0.91 ALDH1A1 (0.63) KMT2AALDH1A1MAPTRAB9ACRHBP
SCHEMBL6168993 0.87 KMT2A (0.55) KMT2AALDH1A1MAPTRAB9ACRHBP
SCHEMBL6169035 0.86 RAB9A (0.59) KMT2AALDH1A1MAPTRAB9ACRHBP
SCHEMBL9043092 0.86 KMT2A (0.72) KMT2AALDH1A1MAPTRAB9ACRHBP
SCHEMBL9195505 0.86 MAPT (0.55) KMT2AALDH1A1MAPTRAB9ACRHBP
SCHEMBL6170373 0.86 KMT2A (0.64) KMT2AALDH1A1MAPTRAB9ACRHBP
SCHEMBL6172673 0.85 KMT2A (0.52) KMT2AALDH1A1MAPTRAB9ACRHBP
SCHEMBL6169823 0.85 KMT2A (0.50) KMT2AALDH1A1MAPTRAB9ACRHBP
SCHEMBL6170745 0.85 KMT2A (0.50) KMT2AALDH1A1MAPTRAB9ACRHBP

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