SCHEMBL2547152

SCHEMBL2547152

Nc1cccc(-c2c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c2[N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
S100A4 P26447 2/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PTPRC P08575 2/20 0.37
ADORA2A P29274 1/20 0.37
TSHR P16473 3/20 0.37
CYP3A4 P08684 2/20 0.37
GPR35 Q9HC97 1/20 0.36
PDE7A Q13946 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
MCL1 Q07820 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3390153 0.81 TDP1 (0.52) ALDH1A1TDP1S100A4KMT2AMEN1
SCHEMBL11551067 0.81 TDP1 (0.52) ALDH1A1TDP1S100A4KMT2AMEN1
SCHEMBL1556277 0.79 ALDH1A1 (0.53) ALDH1A1TDP1KMT2AMEN1USP2
Hydrochloric Acid SCHEMBL5914596 0.79 TDP1 (0.50) ALDH1A1TDP1KMT2AMEN1USP2
SCHEMBL2218034 0.77 ALDH1A1 (0.38) ALDH1A1TDP1S100A4KMT2AMEN1
SCHEMBL15861931 0.77 SMN1; SMN2 (0.40) ALDH1A1TDP1KMT2AMEN1USP2
SCHEMBL339121 0.75 PLK4 (0.39) ALDH1A1TDP1KMT2AMEN1USP2
SCHEMBL28185634 0.75 ALDH1A1 (0.37) ALDH1A1TDP1S100A4KMT2AMEN1
SCHEMBL28184976 0.75 PTGS2 (0.44) ALDH1A1TDP1KMT2AMEN1USP2
SCHEMBL28185643 0.74 LOXL2 (0.49) ALDH1A1TDP1KMT2AMEN1MAPT

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
US-10118871-B2 Ignition sets with improved ignition performance RUAG AMMOTEC GMBH (DE) 2018-11-06 US disclosed
US-20110259484-A1 IGNITION SETS WITH IMPROVED IGNITION PERFORMANCE RWS GMBH (DE) 2011-10-27 US disclosed