SCHEMBL3428571

SCHEMBL3428571

COc1cc(N)ccc1-n1cnc(C)n1.COc1cc([N+](=O)[O-])ccc1-n1cnc(C)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 3/20 0.45
NR4A1 P22736 1/20 0.42
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
SNCA P37840 2/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RECQL P46063 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37

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
SCHEMBL513295 0.93 LMNA (0.50) HTTTDP1LMNAKMT2AMEN1
SCHEMBL29637044 0.87 NR4A1 (0.54) HTTLMNANR4A1MAPTALDH1A1
SCHEMBL511425 0.87 NR4A1 (0.54) HTTLMNANR4A1MAPTALDH1A1
SCHEMBL3431001 0.81 ALDH1A1 (0.41) TDP1LMNAKMT2AMEN1MAPT
SCHEMBL512387 0.80 LMNA (0.49) HTTTDP1LMNAKMT2AMEN1
SCHEMBL361807 0.80 IDO1 (0.38) HTTLMNAKMT2AMEN1MAPT
SCHEMBL361843 0.80 MAPT (0.41) HTTLMNAKMT2AMAPTALDH1A1
SCHEMBL17142137 0.79 LMNA (0.39) HTTTDP1LMNAKMT2AMEN1
SCHEMBL19812701 0.79 LMNA (0.48) TDP1LMNAKMT2AMEN1MAPT
SCHEMBL362113 0.79 MAPT (0.41) HTTLMNAKMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed