SCHEMBL6168615

SCHEMBL6168615

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 6/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 1/20 0.53
PKM P14618 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
LMNA P02545 4/20 0.49
KDM4E B2RXH2 2/20 0.49
PTGER4 P35408 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
GAA P10253 1/20 0.44
ERAP2 Q6P179 1/20 0.43
LNPEP Q9UIQ6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
GALR2 O43603 1/20 0.42
MITF O75030 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
SCHEMBL6169030 0.84 KMT2A (0.52) POLBKMT2AALDH1A1RAB9AMAPT
SCHEMBL6170341 0.84 KMT2A (0.59) POLBKMT2AALDH1A1RAB9AMAPT
SCHEMBL6169816 0.82 KMT2A (0.50) POLBKMT2AALDH1A1RAB9AMAPT
SCHEMBL6172669 0.82 KMT2A (0.52) POLBKMT2AALDH1A1RAB9AMAPT
SCHEMBL6168979 0.82 KMT2A (0.57) POLBKMT2AALDH1A1RAB9AMAPT
SCHEMBL6170345 0.81 KMT2A (0.59) POLBKMT2AALDH1A1RAB9AMAPT
SCHEMBL6170738 0.81 KMT2A (0.49) POLBKMT2AALDH1A1RAB9AMAPT
SCHEMBL6172416 0.81 KMT2A (0.48) POLBKMT2AALDH1A1RAB9AMAPT
SCHEMBL6170279 0.81 KMT2A (0.48) POLBKMT2AALDH1A1RAB9AMAPT
SCHEMBL6169814 0.80 KMT2A (0.48) POLBKMT2AALDH1A1RAB9AMAPT

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