SCHEMBL8679138

SCHEMBL8679138

COc1cc(Cl)c(C=O)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
MAPK1 P28482 4/20 0.45
KDM4E B2RXH2 2/20 0.45
PKM P14618 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
G6PD P11413 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 1/20 0.45
PRKDC P78527 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.43
RAF1 P04049 1/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 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
SCHEMBL3842938 0.82 ERN1 (0.56) MAPTMAPK1KDM4EPKMMEN1
SCHEMBL207231 0.80 ERN1 (0.50) MAPK1MEN1KMT2AALDH1A1PRKDC
SCHEMBL10981231 0.80 MAPK1 (0.50) MAPTMAPK1KDM4EPKMMEN1
SCHEMBL31503831 0.80 MAPK1 (0.50) MAPTMAPK1KDM4EPKMMEN1
SCHEMBL8679011 0.78 MAPK1 (0.49) MAPTMAPK1KDM4EPKMMEN1
SCHEMBL28043007 0.78 MAPK1 (0.49) MAPTMAPK1KDM4EPKMMEN1
SCHEMBL21129789 0.78 GPR35 (0.48) MAPTMAPK1KDM4EMEN1KMT2A
SCHEMBL204005 0.78 TSHR (0.50) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL30140371 0.77 MAPK1 (0.47) MAPTMAPK1KDM4EPKMMEN1
SCHEMBL203087 0.77 MAPT (0.64) MAPTMAPK1KDM4EPKMMEN1

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-5844110-A Synthetic triple helix-forming compound precursors UNIVERSITY OF NEBRASKA BOARD OF REGENTS (US) 1998-12-01 US disclosed
WO-1997037999-A1 SYNTHETIC TRIPLE HELIX-FORMING COMPOUNDS UNIVERSITY OF NEBRASKA BOARD OF REGENTS (US) 1997-10-16 WO disclosed
WO-1996023777-A1 SYNTHETIC TRIPLE HELIX-FORMING COMPOUNDS UNIVERSITY OF NEBRASKA BOARD OF REGENTS (US) 1996-08-08 WO disclosed