SCHEMBL16690188

SCHEMBL16690188

CC(=O)O/N=C(\C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 7/20 0.37
KMT2A Q03164 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.37
ALPG P10696 1/20 0.37
CES2 O00748 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 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
SCHEMBL16690140 0.99 ALDH1A1 (0.42) ALDH1A1ATMGAATDP1MAPT
SCHEMBL16690237 0.90 ALDH1A1 (0.53) ALDH1A1ATMTDP1MAPTKMT2A
SCHEMBL16690210 0.90 ALDH1A1 (0.53) ALDH1A1ATMTDP1MAPTKMT2A
SCHEMBL16690148 0.89 ALDH1A1 (0.43) ALDH1A1ATMGAATDP1MAPT
SCHEMBL16690162 0.88 ALDH1A1 (0.44) ALDH1A1ATMGAATDP1MAPT
SCHEMBL16690255 0.88 ALDH1A1 (0.43) ALDH1A1GAATDP1MAPTKMT2A
SCHEMBL16690169 0.88 ATM (0.49) ALDH1A1ATMMAPTKMT2AL3MBTL1
SCHEMBL16690216 0.87 MAPT (0.45) ALDH1A1ATMGAATDP1MAPT
SCHEMBL16690241 0.87 ALDH1A1 (0.44) ALDH1A1ATMGAATDP1MAPT
SCHEMBL16690187 0.87 ALDH1A1 (0.40) ALDH1A1ATMTDP1MAPTKMT2A

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