SCHEMBL9519281

SCHEMBL9519281

O=C(O)C/C=C\C=C(c1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
PARP1 P09874 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PTAFR P25105 2/20 0.43
MAOB P27338 2/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KCNMA1 Q12791 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAOA P21397 1/20 0.38
POLB P06746 1/20 0.38
PAM P19021 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
SCHEMBL9520834 1.00 ERCC5 (0.45) ERCC5FEN1PARP1MEN1KMT2A
SCHEMBL9520140 0.82 PAM (0.50) PARP1MEN1KMT2APTAFRALDH1A1
SCHEMBL9521627 0.82 PAM (0.50) PARP1MEN1KMT2APTAFRALDH1A1
SCHEMBL9519797 0.82 CES2 (0.47) PARP1MEN1KMT2APTAFRKCNK3
SCHEMBL9520329 0.82 CES2 (0.47) PARP1MEN1KMT2APTAFRKCNK3
SCHEMBL9519681 0.81 ALOX15 (0.44) ERCC5FEN1PTAFRALDH1A1MAPT
SCHEMBL9522078 0.81 ALOX15 (0.44) ERCC5FEN1PTAFRALDH1A1MAPT
SCHEMBL10397702 0.80 PARP1 (0.49) ERCC5FEN1PARP1PTAFRMAOB
SCHEMBL10397703 0.80 PARP1 (0.49) ERCC5FEN1PARP1PTAFRMAOB
SCHEMBL10398588 0.80 PARP1 (0.49) ERCC5FEN1PARP1PTAFRMAOB

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-0299379-B1 PENTADIENAMIDE PAF-ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed