SCHEMBL8000137

SCHEMBL8000137

CSc1ccc(C(=O)c2ccc(Cc3c(Cl)cc(NN=Cc4ccccc4)cc3Cl)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
NPC1 O15118 8/20 0.39
RAB9A P51151 8/20 0.39
GAA P10253 7/20 0.39
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 3/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
POLB P06746 5/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
KDM4E B2RXH2 1/20 0.38
NSD2 O96028 1/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
HSP90AA1 P07900 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL7998769 0.88 KMT2A (0.42) MAPTNPC1RAB9AGAAMEN1
SCHEMBL7998767 0.88 KMT2A (0.42) MAPTNPC1RAB9AGAAMEN1
SCHEMBL8002204 0.88 NPC1 (0.40) MAPTNPC1RAB9AGAAMEN1
SCHEMBL8002208 0.88 NPC1 (0.40) MAPTNPC1RAB9AGAAMEN1
SCHEMBL8005183 0.85 KMT2A (0.39) MAPTNPC1RAB9AGAAMEN1
SCHEMBL8005181 0.85 KMT2A (0.39) MAPTNPC1RAB9AGAAMEN1
SCHEMBL8002014 0.84 NPC1 (0.37) MAPTNPC1RAB9AGAAMEN1
SCHEMBL8002011 0.84 NPC1 (0.37) MAPTNPC1RAB9AGAAMEN1
SCHEMBL7483622 0.84 MEN1 (0.49) MAPTNPC1RAB9AGAAMEN1
SCHEMBL7483627 0.84 MEN1 (0.49) MAPTNPC1RAB9AGAAMEN1

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-6294536-B1 CONTROL OF PROTOZOA AND REDUCTION IN THE INCIDENCE OF ASSOCIATED DISEASES AND DEATH AND CONSEQUENT IMPROVEMENT IN RETARDED GROWTH AND GENERAL CONDITION AND PREVENTING DECREASE GROWTH AND GENERAL CONDITION TAKEDA SCHERING-PLOUGH ANIMAL HEALTH K.K. (JP) 2001-09-25 US disclosed