SCHEMBL6202561

SCHEMBL6202561

CN(C)CCN(C)c1ccc([N+](=O)[O-])c(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH3A1 P30838 2/20 0.40
PTGS2 P35354 3/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
PTBP1 P26599 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ERN1 O75460 2/20 0.36
ACHE P22303 2/20 0.36
BCHE P06276 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL2502259 0.82 MAPT (0.62) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL16003231 0.81 MAPT (0.66) MAPTALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL3381659 0.79 TDP1 (0.49) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL30419970 0.79 TDP1 (0.49) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL9694281 0.78 ALDH3A1 (0.56) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL5278989 0.77 SMN1; SMN2 (0.44) MAPTALDH1A1KDM4EALOX15MEN1
SCHEMBL16003471 0.77 ALDH1A1 (0.45) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL5239456 0.77 MAPT (0.42) MAPTALDH1A1KDM4ECYP3A4PTGS2
SCHEMBL30871973 0.77 ALDH1A1 (0.45) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL4313460 0.76 ALDH1A1 (0.52) MAPTALDH1A1KDM4ECYP3A4ALOX15

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
EP-1266887-B1 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-08-17 EP disclosed
US-6627650-B2 An isomer thereof, or an addition salt thereof with a pharmaceutically acceptable acid or base. Medicinal products containing the same which are useful as anti- cancer agents. LES LABORATOIRES SERVIER (FR) 2003-09-30 US disclosed
EP-1266887-A2 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-12-18 EP disclosed