SCHEMBL15097502

SCHEMBL15097502

CCCCCCCCCCCCc1c([N+](=O)[O-])cc(SOC)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
TXNRD1 Q16881 4/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNH2 Q12809 1/20 0.37
GSR P00390 2/20 0.37
ALOX5 P09917 5/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
VCAM1 P19320 1/20 0.35
PTGS2 P35354 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 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
SCHEMBL15097508 0.83 TDP1 (0.45) ESR1TXNRD1MAPTALDH1A1TDP1
SCHEMBL9027341 0.77 ALDH1A1 (0.54) MAPTALDH1A1L3MBTL1TDP1KCNH2
SCHEMBL15097515 0.74 ALOX5 (0.40) ALOX5PTGS2
SCHEMBL15097486 0.74 ALOX5 (0.43) MAPTTDP1ALOX5PTGS2MEN1
SCHEMBL15097806 0.74 ALOX5 (0.37) MAPTALDH1A1TDP1ALOX5
SCHEMBL12406514 0.72 L3MBTL1 (0.48) ESR1TXNRD1MAPTALDH1A1L3MBTL1
SCHEMBL28842377 0.71 ESR1 (0.39) ESR1TXNRD1MAPTALDH1A1L3MBTL1
SCHEMBL15097496 0.71 AR (0.40) MAPTALDH1A1L3MBTL1ALOX5LMNA
SCHEMBL15097808 0.71 ALOX5 (0.37) ALOX5PTGS2
SCHEMBL5590328 0.71 ALOX5 (0.50) ESR1MAPTALDH1A1L3MBTL1TDP1

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-20130177851-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-11 US disclosed