SCHEMBL9560310

SCHEMBL9560310

COC(=O)CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.49
PTGES O14684 1/20 0.49
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 4/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 3/20 0.41
PTPN1 P18031 1/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39

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
SCHEMBL3986259 0.86 ALOX5 (0.50) ALOX5PTGESALDH1A1MAPTNPSR1
SCHEMBL455112 0.85 ALOX5 (0.49) ALOX5PTGESALDH1A1MAPTNPSR1
SCHEMBL11100493 0.85 ALOX5 (0.51) ALOX5PTGESALDH1A1MAPTNPSR1
SCHEMBL10527468 0.82 ATM (0.56) ALOX5ALDH1A1MAPTNPSR1KMT2A
SCHEMBL14427566 0.77 ALDH1A1 (0.52) ALOX5PTGESALDH1A1MAPTNPSR1
SCHEMBL809033 0.72 ALDH1A1 (0.43) ALDH1A1MAPTNPSR1KMT2ASMN1; SMN2
SCHEMBL8028135 0.70 CYP1A2 (0.48) ALDH1A1MAPTNPSR1KMT2AATM
SCHEMBL12310918 0.69 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AATMSMN1; SMN2
SCHEMBL10525429 0.67 ALDH1A1 (0.72) ALOX5ALDH1A1KMT2AATMSMN1; SMN2
SCHEMBL13603859 0.67 TDP1 (0.47) ALDH1A1MAPTNPSR1KMT2AATM

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-0299793-B1 PACKING MATERIALS FOR ANALYSING ENANTIOMER MIXTURES BY LIQUID CHROMATOGRAPHY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-31 EP disclosed
US-4963254-A INORGANIC CARRIER HAVING GRAFTED AN ORGANOSILANE AND A CARBON REPRESENTING ASYMMETRIC; ANALYSIS FOR ENANTIOMORPHS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-16 US disclosed