SCHEMBL6170130

SCHEMBL6170130

CCOC(=O)c1ccc([N+](=O)[O-])c(NC(=O)CCc2ccc(-c3ccccc3C#N)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
RAB9A P51151 4/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 1/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 7/20 0.43
FFAR1 O14842 1/20 0.42
AKR1B1 P15121 1/20 0.42
NPC1 O15118 2/20 0.41
PKM P14618 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
LTB4R Q15722 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
PTGER4 P35408 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL6171231 0.87 MAPT (0.50) MAPTRAB9AGAAKMT2ALMNA
SCHEMBL6169173 0.85 MAPT (0.65) MAPTRAB9AGAAKMT2ALMNA
SCHEMBL6170425 0.82 KMT2A (0.46) MAPTRAB9AGAAKMT2ALMNA
SCHEMBL6169309 0.82 KMT2A (0.49) MAPTRAB9AGAAKMT2ALMNA
SCHEMBL6172642 0.82 RAB9A (0.56) MAPTRAB9AGAAKMT2ALMNA
SCHEMBL6171713 0.81 MAPT (0.52) MAPTRAB9AGAAKMT2ALMNA
SCHEMBL6170564 0.80 ALDH1A1 (0.62) MAPTRAB9AKMT2ALMNAALDH1A1
SCHEMBL6170733 0.80 KMT2A (0.51) MAPTRAB9AGAAKMT2ALMNA
SCHEMBL6171232 0.79 MAPT (0.56) MAPTRAB9AGAAKMT2ALMNA
SCHEMBL6172744 0.79 KMT2A (0.50) MAPTRAB9AGAAKMT2ALMNA

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