SCHEMBL2800637

SCHEMBL2800637

Clc1nc2ccccc2nc1NN=Cc1ccco1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.55
NPC1 O15118 8/20 0.55
MAPT P10636 8/20 0.55
KMT2A Q03164 7/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
RAB9A P51151 6/20 0.55
KDM4E B2RXH2 6/20 0.55
MEN1 O00255 5/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
LMNA P02545 2/20 0.55
PKM P14618 1/20 0.54
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 4/20 0.48
POLB P06746 3/20 0.48
APEX1 P27695 1/20 0.48
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAOA P21397 1/20 0.45

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
SCHEMBL13201709 1.00 GAA (0.55) GAANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL8493745 0.74 KDM4E (0.64) GAANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL8493749 0.74 KDM4E (0.64) GAANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL2800046 0.73 KDM4E (0.60) GAANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL2802250 0.73 KMT2A (0.64) GAANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL13201844 0.73 KDM4E (0.60) GAANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL3463211 0.72 NPC1 (0.60) GAANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL3463212 0.72 NPC1 (0.60) GAANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL3066581 0.71 NPC1 (0.62) GAANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL3066579 0.71 NPC1 (0.62) GAANPC1MAPTKMT2ASMN1; 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
US-20100209537-A1 Metal complexes with anticancer activity BANGALORE RAMESH 2010-08-19 US disclosed