SCHEMBL7192206

SCHEMBL7192206

CC(=O)OCC(C)(C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
PKM P14618 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 8/20 0.51
MAPK1 P28482 3/20 0.51
ALDH1A1 P00352 3/20 0.51
STAT3 P40763 1/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.47
KCNMA1 Q12791 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AKR1B1 P15121 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.46

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
SCHEMBL7188544 0.83 MAPK1 (0.55) KMT2APKMMEN1MAPTMAPK1
SCHEMBL7188766 0.81 CFTR (0.47) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL7191253 0.81 MAPT (0.47) KMT2APKMMEN1MAPTMAPK1
SCHEMBL27756751 0.80 KMT2A (0.48) KMT2APKMMEN1MAPTMAPK1
SCHEMBL7180262 0.80 MAPT (0.65) KMT2APKMMEN1MAPTMAPK1
SCHEMBL7180271 0.80 L3MBTL1 (0.43) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL116538 0.78 MAPK1 (0.62) KMT2APKMMEN1MAPTMAPK1
SCHEMBL4393888 0.78 MAPT (0.54) KMT2APKMMEN1MAPTMAPK1
SCHEMBL7182910 0.78 MAPT (0.61) KMT2APKMMEN1MAPTMAPK1
SCHEMBL4393879 0.78 MAPT (0.54) KMT2APKMMEN1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed