SCHEMBL7671189

SCHEMBL7671189

CCOC(=O)c1ccc([N+](=O)[O-])c(NC(=O)C(CC)Cc2ccccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
RAB9A P51151 6/20 0.46
MAPT P10636 6/20 0.46
NPC1 O15118 4/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 7/20 0.45
PKM P14618 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
PTGER4 P35408 1/20 0.43
MEN1 O00255 4/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL6169030 0.86 KMT2A (0.52) KMT2ARAB9AMAPTNPC1ALDH1A1
SCHEMBL6172416 0.83 KMT2A (0.48) KMT2ARAB9AMAPTNPC1ALDH1A1
SCHEMBL6170279 0.83 KMT2A (0.48) KMT2ARAB9AMAPTNPC1NFKB1
SCHEMBL6170738 0.81 KMT2A (0.49) KMT2ARAB9AMAPTNPC1ALDH1A1
SCHEMBL6172669 0.80 KMT2A (0.52) KMT2ARAB9AMAPTNPC1ALDH1A1
SCHEMBL6169816 0.80 KMT2A (0.50) KMT2ARAB9AMAPTNPC1ALDH1A1
SCHEMBL6170417 0.80 KMT2A (0.46) KMT2ARAB9AMAPTNPC1ALDH1A1
SCHEMBL6169116 0.80 KMT2A (0.48) KMT2ARAB9AMAPTNPC1ALDH1A1
SCHEMBL6169814 0.80 KMT2A (0.48) KMT2ARAB9AMAPTNPC1MAPK1
SCHEMBL6168615 0.80 POLB (0.54) KMT2ARAB9AMAPTNPC1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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