SCHEMBL6170733

SCHEMBL6170733

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MAPT P10636 6/20 0.50
ALDH1A1 P00352 9/20 0.49
POLB P06746 2/20 0.49
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
PKM P14618 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
LMNA P02545 4/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 2/20 0.47
PTGER4 P35408 1/20 0.45
NAMPT P43490 1/20 0.45
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6172744 0.91 KMT2A (0.50) KMT2AMAPTALDH1A1POLBRAB9A
SCHEMBL6169173 0.88 MAPT (0.65) KMT2AMAPTALDH1A1POLBRAB9A
SCHEMBL6170564 0.87 ALDH1A1 (0.62) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL6168808 0.84 KMT2A (0.51) KMT2AMAPTALDH1A1POLBRAB9A
SCHEMBL6171713 0.83 MAPT (0.52) KMT2AMAPTALDH1A1POLBRAB9A
SCHEMBL6171410 0.83 ALDH1A1 (0.63) KMT2AMAPTALDH1A1POLBRAB9A
SCHEMBL6171232 0.82 MAPT (0.56) KMT2AMAPTALDH1A1POLBRAB9A
SCHEMBL6171231 0.82 MAPT (0.50) KMT2AMAPTALDH1A1POLBRAB9A
SCHEMBL6172673 0.82 KMT2A (0.52) KMT2AMAPTALDH1A1POLBRAB9A
SCHEMBL6169823 0.82 KMT2A (0.50) KMT2AMAPTALDH1A1POLBRAB9A

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