SCHEMBL6169182

SCHEMBL6169182

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.81
ALDH1A1 P00352 6/20 0.66
POLB P06746 2/20 0.66
KDM4E B2RXH2 1/20 0.66
SMN1; SMN2 Q16637 8/20 0.64
LMNA P02545 4/20 0.64
HPGD P15428 2/20 0.64
GALR2 O43603 1/20 0.64
MITF O75030 1/20 0.64
HSP90AA1 P07900 1/20 0.64
XBP1 P17861 1/20 0.64
CCR6 P51684 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
RAB9A P51151 6/20 0.60
MAPT P10636 5/20 0.60
NPC1 O15118 5/20 0.60
PKM P14618 2/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
PTGER4 P35408 1/20 0.57

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
SCHEMBL6170744 0.90 KMT2A (1.00) KMT2AALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL6170373 0.88 KMT2A (0.64) KMT2AALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL2248072 0.86 KMT2A (0.64) KMT2AALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL6171410 0.86 ALDH1A1 (0.63) KMT2AALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL6169157 0.85 KMT2A (0.60) KMT2AALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL6170252 0.85 KMT2A (0.60) KMT2AALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL6170341 0.84 KMT2A (0.59) KMT2AALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL6170345 0.84 KMT2A (0.59) KMT2AALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL8129523 0.83 ALDH1A1 (0.58) KMT2AALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL6168620 0.82 KMT2A (0.57) KMT2AALDH1A1POLBKDM4ESMN1; SMN2

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