SCHEMBL8600853

SCHEMBL8600853

Nc1ccc(N)c(C(=O)CCl)c1C(=O)CCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.44
ALDH1A1 P00352 7/20 0.44
HIF1A Q16665 3/20 0.44
MAPK1 P28482 2/20 0.44
TRPA1 O75762 1/20 0.44
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
MITF O75030 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL31222770 0.82 ALDH1A1 (0.42) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL11457421 0.79 JAK1 (0.47) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL27692792 0.79 CA12 (0.43) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL31222807 0.79 GSK3B (0.39) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL25082656 0.76 METAP2 (0.38) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL25082808 0.76 MAOA (0.36) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL2284243 0.73 GSK3B (0.52) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL31318386 0.73 GSK3B (0.52) GSK3BALDH1A1HIF1AMAPK1TRPA1
SCHEMBL6238459 0.72 TDP1 (0.45) ALDH1A1MAPK1LMNAKMT2ASMN1; SMN2
SCHEMBL11219888 0.72 THRB (0.57) GSK3BALDH1A1HIF1AMAPK1TRPA1

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-1998049251-A1 MULTIPLE RARE-EARTH METAL COMPLEXES AKZO NOBEL N.V. (NL) 1998-11-05 WO disclosed