SCHEMBL7188345

SCHEMBL7188345

CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PKM P14618 1/20 0.52
STAT3 P40763 1/20 0.51
HDAC4 P56524 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 7/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SCN9A Q15858 1/20 0.43
STS P08842 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
SCHEMBL7188349 1.00 MAPK1 (0.54) MAPK1NPSR1PKMSTAT3HDAC4
SCHEMBL2860350 0.94 MAPK1 (0.58) MAPK1NPSR1PKMSTAT3MAPT
SCHEMBL28694480 0.87 MAPT (0.46) MAPK1NPSR1PKMSTAT3HDAC4
SCHEMBL28694478 0.87 MAPT (0.46) MAPK1NPSR1PKMSTAT3HDAC4
SCHEMBL28539191 0.86 USP30 (0.52) MAPK1PKMMAPTALDH1A1LMNA
SCHEMBL28539193 0.86 USP30 (0.52) MAPK1PKMMAPTALDH1A1LMNA
SCHEMBL16513098 0.86 LMNA (0.47) MAPK1MAPTALDH1A1LMNAPOLB
SCHEMBL22605777 0.86 MAPK1 (0.48) MAPK1NPSR1PKMSTAT3HDAC4
SCHEMBL28910137 0.86 USP30 (0.52) MAPK1PKMMAPTALDH1A1LMNA
SCHEMBL7179421 0.84 HDAC4 (0.47) MAPK1HDAC4HDAC6MAPTALDH1A1

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 3 patents. 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
EP-1196391-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 EP disclosed
WO-2001005770-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-25 WO disclosed