SCHEMBL7136333

SCHEMBL7136333

O=C1Nc2ccc(CCCl)cc2C1=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
APP P05067 2/20 0.61
SNCA P37840 2/20 0.61
NOX4 Q9NPH5 1/20 0.57
GSK3B P49841 6/20 0.56
METAP1 P53582 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.51
PDGFRB P09619 1/20 0.50
JAK3 P52333 1/20 0.50
RET P07949 1/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL7140932 0.84 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5366866 0.84 NOX4 (0.58) MAPTAPPSNCANOX4GSK3B
SCHEMBL5367333 0.84 NOX4 (0.58) MAPTAPPSNCANOX4GSK3B
SCHEMBL5369296 0.84 NOX4 (0.58) MAPTAPPSNCANOX4GSK3B
SCHEMBL7137564 0.83 PSEN1 (0.52) MAPTAPPSNCAPDGFRBRET
SCHEMBL7133824 0.83 PSEN1 (0.52) MAPTAPPSNCARETPSEN1
SCHEMBL5361803 0.83 LRRK2 (0.65) PDGFRBJAK3RETPSEN1PSEN2
SCHEMBL5357872 0.83 NOX4 (0.43) MAPTAPPSNCANOX4GSK3B
SCHEMBL7134346 0.81 RAF1 (0.57) SIRT2PDGFRBRETPSEN1PSEN2
SCHEMBL7139546 0.81 PSEN1 (0.49) MAPTAPPSNCARETPSEN1

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-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed