SCHEMBL4326883

SCHEMBL4326883

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.61
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 2/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAOB P27338 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GRIN2B Q13224 2/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4328296 1.00 PARP1 (0.61) PARP1ERCC5FEN1MEN1KMT2A
SCHEMBL4328293 1.00 PARP1 (0.61) PARP1ERCC5FEN1MEN1KMT2A
SCHEMBL8937297 0.81 PARP1 (0.55) PARP1ERCC5FEN1MEN1KMT2A
SCHEMBL11121569 0.80 PARP1 (0.53) PARP1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL11121567 0.80 PARP1 (0.53) PARP1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL15384456 0.79 PARP1 (0.62) PARP1ERCC5FEN1MEN1KMT2A
SCHEMBL6704885 0.79 PARP1 (0.52) PARP1ERCC5FEN1MEN1KMT2A
SCHEMBL9512846 0.79 PARP1 (0.52) PARP1ERCC5FEN1MEN1KMT2A
SCHEMBL6704887 0.79 PARP1 (0.52) PARP1ERCC5FEN1MEN1KMT2A
SCHEMBL4240912 0.78 TDP1 (0.54) PARP1MEN1KMT2ASMN1; SMN2ALOX15

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-2009146696-A1 USE OF INDOLE-3-CARBOXYLIC ESTERS FOR INHIBITING MICROSOMAL PROSTAGLANDIN E2 SYNTHASE Universität Tübingen (DE) 2009-12-10 WO disclosed