SCHEMBL16690200

SCHEMBL16690200

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 9/20 0.37
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 3/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 2/20 0.36
CES2 O00748 1/20 0.35
MEN1 O00255 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 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
SCHEMBL16690161 0.91 ALDH1A1 (0.43) ALDH1A1TDP1MAPTSMN1; SMN2KMT2A
SCHEMBL16690256 0.89 CES2 (0.42) ALDH1A1TDP1MAPTGAASMN1; SMN2
SCHEMBL16690193 0.87 ALDH1A1 (0.39) ALDH1A1TDP1GAAKMT2AKDM4E
SCHEMBL16690222 0.83 CES2 (0.42) ALDH1A1MAPTGAASMN1; SMN2MAPK1
SCHEMBL16690272 0.82 ALDH1A1 (0.47) ALDH1A1TDP1MAPTGAASMN1; SMN2
SCHEMBL16690168 0.82 ALDH1A1 (0.41) ALDH1A1TDP1MAPTGAAMAPK1
SCHEMBL16690149 0.82 ALDH1A1 (0.47) ALDH1A1TDP1MAPTGAASMN1; SMN2
SCHEMBL16690250 0.81 KMT2A (0.39) ALDH1A1TDP1MAPTGAASMN1; SMN2
SCHEMBL16690171 0.80 TTR (0.40) ALDH1A1MAPTGAASMN1; SMN2MAPK1
SCHEMBL16690178 0.80 ALDH1A1 (0.42) ALDH1A1TDP1MAPTGAASMN1; SMN2

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