SCHEMBL7188544

SCHEMBL7188544

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.55
KMT2A Q03164 2/20 0.55
PKM P14618 2/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 9/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
POLB P06746 1/20 0.52
LMNA P02545 2/20 0.51
STAT3 P40763 1/20 0.51
KCNMA1 Q12791 1/20 0.50
THRB P10828 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AKR1B1 P15121 1/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49

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
SCHEMBL116538 0.84 MAPK1 (0.62) MAPK1KMT2APKMMEN1MAPT
SCHEMBL7192206 0.83 KMT2A (0.52) MAPK1KMT2APKMMEN1MAPT
SCHEMBL4393879 0.82 MAPT (0.54) MAPK1KMT2APKMMEN1MAPT
SCHEMBL4393888 0.82 MAPT (0.54) MAPK1KMT2APKMMEN1MAPT
SCHEMBL5052131 0.81 MAPK1 (0.55) MAPK1KMT2APKMMEN1MAPT
SCHEMBL7955855 0.81 MAPK1 (0.55) MAPK1KMT2APKMMEN1MAPT
SCHEMBL3083108 0.81 KDM4E (0.47) MAPK1KMT2APKMMEN1MAPT
SCHEMBL27756751 0.79 KMT2A (0.48) MAPK1KMT2APKMMEN1MAPT
SCHEMBL1855646 0.79 MAPT (0.50) MAPK1KMT2APKMMEN1MAPT
SCHEMBL1855648 0.79 MAPT (0.50) MAPK1KMT2APKMMEN1MAPT

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