SCHEMBL11270517

SCHEMBL11270517

CCCOc1cc(Oc2c(Cl)cc(S(=O)(=O)C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
EPAS1 Q99814 4/20 0.43
MAPT P10636 3/20 0.41
ALDH3A1 P30838 1/20 0.41
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TTR P02766 1/20 0.36
PPOX P50336 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TBXA2R P21731 1/20 0.36
CYP19A1 P11511 2/20 0.35
ALDH1A1 P00352 2/20 0.35
VCAM1 P19320 1/20 0.35
PTPRZ1 P23471 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 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
SCHEMBL10687361 0.81 MAPT (0.41) MAPTMEN1KMT2ATDP1TTR
SCHEMBL11150111 0.80 S1PR4 (0.45) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL11272005 0.76 ALDH3A1 (0.48) PTPN1EPAS1MAPTALDH3A1MEN1
SCHEMBL11160174 0.75 MAPT (0.47) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL11157129 0.74 TDP1 (0.58) MAPTMEN1KMT2ATDP1TTR
SCHEMBL11743837 0.74 S1PR4 (0.43) MAPTMEN1KMT2ATDP1TTR
SCHEMBL11742781 0.73 TDP1 (0.43) MAPTMEN1KMT2ATDP1TTR
SCHEMBL27806730 0.72 MAPT (0.45) MAPTMEN1KMT2ATDP1MAPK1
SCHEMBL11042189 0.71 MEN1 (0.46) MAPTMEN1KMT2ATDP1TTR
SCHEMBL22048165 0.71 MAPT (0.58) MAPTMEN1KMT2ATDP1MAPK1

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-4358308-A PREEMERGENT AND POSTEMERGENT APPLICATION ROHM AND HAAS COMPANY (US) 1982-11-09 US disclosed