SCHEMBL6169030

SCHEMBL6169030

CCOC(=O)c1ccc([N+](=O)[O-])c(NC(=O)C(CC)Cc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
PKM P14618 2/20 0.48
NPC1 O15118 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.47
PTGER4 P35408 1/20 0.46
EPHX2 P34913 1/20 0.45
PPARG P37231 1/20 0.45
MEN1 O00255 4/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP1A2 P05177 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
SCHEMBL6169816 0.90 KMT2A (0.50) KMT2ARAB9AALDH1A1MAPTPKM
SCHEMBL6172669 0.90 KMT2A (0.52) KMT2ARAB9AALDH1A1MAPTPKM
SCHEMBL6169814 0.90 KMT2A (0.48) KMT2ARAB9AALDH1A1MAPTPKM
SCHEMBL6169116 0.90 KMT2A (0.48) KMT2ARAB9AALDH1A1MAPTPKM
SCHEMBL6172416 0.87 KMT2A (0.48) KMT2ARAB9AALDH1A1MAPTPKM
SCHEMBL6170279 0.87 KMT2A (0.48) KMT2ARAB9AALDH1A1MAPTPKM
SCHEMBL7671189 0.86 KMT2A (0.48) KMT2ARAB9AALDH1A1MAPTPKM
SCHEMBL6170738 0.85 KMT2A (0.49) KMT2ARAB9AALDH1A1MAPTPKM
SCHEMBL6170417 0.84 KMT2A (0.46) KMT2ARAB9AALDH1A1MAPTPKM
SCHEMBL6168615 0.84 POLB (0.54) KMT2ARAB9AALDH1A1MAPTPKM

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