SCHEMBL8912648

SCHEMBL8912648

O=COCCc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.43
VCAM1 P19320 1/20 0.43
S1PR4 O95977 2/20 0.41
PDE7A Q13946 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ACLY P53396 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE7B Q9NP56 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KIF18A Q8NI77 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL95262 0.86 LMNA (0.47) MAPK1TSHRLMNAVCAM1PDE7A
SCHEMBL702624 0.83 CYP1A2 (0.53) MAPK1TSHRLMNAALDH1A1MEN1
SCHEMBL8916280 0.82 S100A4 (0.39) MAPK1S1PR4ALDH1A1MEN1KMT2A
SCHEMBL7648154 0.78 ACLY (0.44) MAPK1TSHRVCAM1S1PR4L3MBTL1
SCHEMBL535349 0.78 MAPK1 (0.50) MAPK1TSHRLMNAVCAM1PDE7A
SCHEMBL1967927 0.78 ALDH1A1 (0.53) TSHRLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL535249 0.77 MAPK1 (0.53) MAPK1TSHRLMNAVCAM1PDE7A
SCHEMBL3124329 0.77 KMT2A (0.50) MAPK1TSHRLMNAVCAM1S1PR4
SCHEMBL15716419 0.76 S1PR4 (0.48) MAPK1TSHRLMNAVCAM1S1PR4
SCHEMBL8842590 0.76 MAPK1 (0.45) MAPK1TSHRLMNAVCAM1PDE7A

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-0797580-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS Pfleiderer, Wolfgang (DE) 1997-10-01 EP disclosed
WO-1996018634-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 1996-06-20 WO disclosed