SCHEMBL16690259

SCHEMBL16690259

O=C(O/N=C(\C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1)C1CCCC1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 4/20 0.39
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 4/20 0.36
AVPR2 P30518 1/20 0.36
AVPR1A P37288 1/20 0.36
ADAMTS4 O75173 1/20 0.36
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 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
SCHEMBL16690255 0.89 ALDH1A1 (0.43) ALDH1A1TDP1MAPTHTTSMN1; SMN2
SCHEMBL16690243 0.89 ALDH1A1 (0.47) ALDH1A1TDP1HTTLMNASMN1; SMN2
SCHEMBL16690187 0.89 ALDH1A1 (0.40) ALDH1A1TDP1MAPTHTTLMNA
SCHEMBL16690209 0.89 ALDH1A1 (0.47) ALDH1A1TDP1HTTLMNASMN1; SMN2
SCHEMBL16690139 0.88 ALDH1A1 (0.39) ALDH1A1TDP1MAPTHTTLMNA
SCHEMBL16690258 0.86 CES2 (0.49) ALDH1A1MAPTSMN1; SMN2POLBCES2
SCHEMBL16690234 0.86 HRH2 (0.38) ALDH1A1TDP1MAPTHTTLMNA
SCHEMBL16690145 0.85 ALDH1A1 (0.39) ALDH1A1TDP1MAPTHTTLMNA
SCHEMBL16690167 0.84 ALDH1A1 (0.40) ALDH1A1TDP1MAPTHTTLMNA
SCHEMBL16690180 0.84 MAPT (0.41) ALDH1A1TDP1MAPTHTTLMNA

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