SCHEMBL28618112

SCHEMBL28618112

O=C1c2ccc(Cl)cc2C(=O)N1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.54
PPOX P50336 1/20 0.48
HSP90AA1 P07900 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
CES1 P23141 2/20 0.39
TGM2 P21980 1/20 0.39
APAF1 O14727 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 1/20 0.39
MAPT P10636 1/20 0.37
CHEK1 O14757 1/20 0.37
DAPK3 O43293 1/20 0.37
MAP4K4 O95819 1/20 0.37
RET P07949 1/20 0.37
PIM1 P11309 1/20 0.37
LTK P29376 1/20 0.37
GRK5 P34947 1/20 0.37

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
SCHEMBL2239437 0.80 S100A4 (0.52) S100A4PPOXHSP90AA1MEN1KMT2A
SCHEMBL1704408 0.80 S100A4 (0.52) S100A4PPOXHSP90AA1MEN1KMT2A
SCHEMBL1500415 0.80 ALDH1A1 (0.55) S100A4PPOXMEN1KMT2AALDH1A1
SCHEMBL9126362 0.80 S100A4 (0.52) S100A4PPOXHSP90AA1MEN1KMT2A
SCHEMBL1735121 0.78 MEN1 (0.68) S100A4MEN1KMT2ANPC1ALDH1A1
SCHEMBL11053735 0.78 S100A4 (0.50) S100A4PPOXHSP90AA1MEN1KMT2A
SCHEMBL24303348 0.75 S100A4 (0.47) S100A4PPOXHSP90AA1MEN1KMT2A
SCHEMBL9550432 0.75 S100A4 (0.47) S100A4PPOXHSP90AA1MEN1KMT2A
SCHEMBL10451194 0.75 POLB (0.57) S100A4PPOXMEN1KMT2AALDH1A1
SCHEMBL7216276 0.75 S100A4 (0.47) S100A4PPOXMEN1KMT2ANPC1

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
CN-108713044-B Polycarbonate resin composition and molded article thereof 出光兴产株式会社 2021-08-17 CN disclosed