SCHEMBL3255459

SCHEMBL3255459

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3c12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
PKM P14618 2/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
LMNA P02545 4/20 0.45
TSHR P16473 2/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 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
SCHEMBL3250741 0.88 MAPT (0.55) MAPTPKMGAAALDH1A1MEN1
SCHEMBL3253160 0.83 MEN1 (0.51) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL3252092 0.83 KMT2A (0.50) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3241840 0.83 KDM4E (0.41) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3249322 0.81 MAPT (0.54) MAPTPKMGAAALDH1A1MEN1
SCHEMBL3251774 0.81 CASP3 (0.52) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL4154862 0.80 PKM (0.49) MAPTPKMGAAALDH1A1MEN1
SCHEMBL3250557 0.80 MAPT (0.41) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3255978 0.79 FEN1 (0.39) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3250842 0.79 KDM4E (0.44) MAPTGAAALDH1A1MEN1KMT2A

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
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed