SCHEMBL9769366

SCHEMBL9769366

CS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1cc[c]cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
PTPRC P08575 3/20 0.40
S100A4 P26447 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 6/20 0.39
CYP3A4 P08684 4/20 0.39
PDE2A O00408 1/20 0.39
PDE5A O76074 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
APEX1 P27695 1/20 0.39
PDE4A P27815 1/20 0.39
BLM P54132 1/20 0.39
PDE1B Q01064 1/20 0.39
PMP22 Q01453 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE7A Q13946 1/20 0.39
PDE1C Q14123 1/20 0.39
PDE7B Q9NP56 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
SCHEMBL3531002 0.77 VCAM1 (0.44) TDP1ALDH1A1MEN1KMT2AVCAM1
SCHEMBL6800906 0.76 TDP1 (0.38) S100A4TDP1ALDH1A1CYP3A4ALOX15
SCHEMBL9769363 0.75 PTGS2 (0.43) PTGS2PTPRCS100A4TDP1ALDH1A1
SCHEMBL27760178 0.72 GPR35 (0.54) PTPRCS100A4TDP1ALDH1A1ALOX15
SCHEMBL4622820 0.72 ALDH1A1 (0.56) PTGS2PTPRCS100A4TDP1ALDH1A1
SCHEMBL12377069 0.72 ALDH1A1 (0.56) PTGS2TDP1ALDH1A1CYP3A4PDE2A
SCHEMBL14880717 0.71 TSHR (0.47) PTPRCTDP1ALDH1A1ALOX15MEN1
SCHEMBL7418455 0.70 PTPRC (0.61) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL7413256 0.70 PTPRC (0.66) PTPRCS100A4TDP1ALDH1A1CYP3A4
SCHEMBL7413127 0.70 PTPRC (0.61) PTPRCS100A4TDP1ALDH1A1CYP3A4

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-5049474-A Color light-sensitive material FUJI PHOTO FILM CO., LTD (JP) 1991-09-17 US disclosed