SCHEMBL16690236

SCHEMBL16690236

O=[N+]([O-])c1ccc(-c2ccc(/C(=N/O)c3ccccc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
MAPK1 P28482 1/20 0.63
CES1 P23141 2/20 0.59
CES2 O00748 1/20 0.59
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
RAB9A P51151 1/20 0.47
SRD5A2 P31213 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BCHE P06276 1/20 0.45
MAOB P27338 1/20 0.45
CYP1B1 Q16678 1/20 0.45
CRHBP P24387 1/20 0.45

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
SCHEMBL29420172 0.95 CES1 (0.65) POLBMAPK1CES1CES2TDP1
SCHEMBL1140280 0.95 CES1 (0.65) POLBMAPK1CES1CES2TDP1
SCHEMBL7353197 0.88 CES1 (0.59) POLBMAPK1CES1CES2TDP1
SCHEMBL16690235 0.81 POLB (0.93) POLBMAPK1CES1CES2TDP1
SCHEMBL27578404 0.80 POLB (0.51) POLBMAPK1CES1CES2TDP1
SCHEMBL28739913 0.80 HPGD (0.59) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL7095150 0.79 CES1 (0.62) POLBMAPK1CES1CES2TDP1
SCHEMBL13029991 0.79 ACHE (0.64) POLBMAPK1CES1CES2TDP1
SCHEMBL12418538 0.79 ACHE (0.64) POLBMAPK1CES1CES2TDP1
SCHEMBL16690239 0.78 MAPK1 (0.56) POLBMAPK1CES1CES2TDP1

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
WO-2015064958-A1 NOVEL OXIME ESTER BIPHENYL COMPOUND, PHOTO INITIATOR AND PHOTOSENSITIVE RESIN COMPOSITION CONTAINING SAME 한국화학연구원 2015-05-07 WO disclosed