SCHEMBL6170977

SCHEMBL6170977

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
LMNA P02545 4/20 0.52
KMT2A Q03164 2/20 0.51
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 2/20 0.49
PKM P14618 2/20 0.46
SLC9A1 P19634 1/20 0.46
PDE7A Q13946 1/20 0.45
GAA P10253 2/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DYRK1A Q13627 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CTPS1 P17812 1/20 0.44

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
SCHEMBL2690814 0.88 HTT (0.54) LMNAKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4488089 0.86 CASP6 (0.60) LMNAKMT2AMAPTALDH1A1NPSR1
SCHEMBL27944435 0.84 HCAR3 (0.56) PARP1LMNAKMT2AMAPTSMN1; SMN2
SCHEMBL6437317 0.81 NPSR1 (0.52) LMNAKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9663706 0.81 MAPK1 (0.59) KMT2AMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL10790188 0.80 HTT (0.68) LMNAKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11215556 0.80 NPSR1 (0.62) LMNAKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL22535975 0.80 CYP3A4 (0.55) LMNAKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6169182 0.79 KMT2A (0.81) LMNAKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6259587 0.79 F10 (0.52) KMT2AMAPTSMN1; SMN2ALDH1A1DYRK1A

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