SCHEMBL6169035

SCHEMBL6169035

CCOC(=O)c1ccc([N+](=O)[O-])c(NC(=O)CCCCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
NPC1 O15118 4/20 0.59
MAPT P10636 4/20 0.56
GAA P10253 2/20 0.53
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 6/20 0.51
PKM P14618 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGER4 P35408 1/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL6169173 0.93 MAPT (0.65) RAB9ANPC1MAPTGAAKMT2A
SCHEMBL6172642 0.91 RAB9A (0.56) RAB9ANPC1MAPTGAAKMT2A
SCHEMBL6169823 0.90 KMT2A (0.50) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL6172673 0.90 KMT2A (0.52) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL6169121 0.90 L3MBTL1 (0.48) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL6169822 0.90 KMT2A (0.48) RAB9ANPC1MAPTGAAKMT2A
SCHEMBL6172439 0.88 RAB9A (0.57) RAB9ANPC1MAPTGAAKMT2A
SCHEMBL6170284 0.87 KMT2A (0.48) RAB9ANPC1MAPTGAAKMT2A
SCHEMBL6172423 0.87 KMT2A (0.48) RAB9ANPC1MAPTGAAKMT2A
SCHEMBL6168620 0.86 KMT2A (0.57) RAB9ANPC1MAPTGAAKMT2A

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