SCHEMBL13622908

SCHEMBL13622908

C=C(/N=C(/C(=O)OC)C(Cl)=C(N)N)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
KMT2A Q03164 5/20 0.39
MAPT P10636 5/20 0.39
HPGD P15428 5/20 0.39
PKM P14618 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
APLNR P35414 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
GSK3B P49841 1/20 0.37
ELANE P08246 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 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
SCHEMBL13622393 0.80 GSK3B (0.39) LMNAHPGDGSK3B
SCHEMBL13622389 0.80 SMN1; SMN2 (0.37) LMNARAB9ANPC1KMT2AMAPT
SCHEMBL13622603 0.75 TUBB4A (0.44) LMNARAB9ANPC1KMT2AMAPT
SCHEMBL13256628 0.73 ALDH1A1 (0.35)
SCHEMBL13622324 0.71 NNMT (0.33) KMT2AL3MBTL1KDM4EMEN1
SCHEMBL7702480 0.70 CES2 (0.50) LMNARAB9ANPC1KMT2AMAPT
SCHEMBL13256629 0.69 ALDH1A1 (0.32)
SCHEMBL13622605 0.69 HCRTR1 (0.37) LMNAKMT2AMEN1
SCHEMBL13622361 0.69 ALDH1A1 (0.39) RAB9ANPC1KMT2AMAPTHPGD
SCHEMBL13622400 0.67 ATAD2 (0.34) NPC1KMT2AHPGDL3MBTL1GAA

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-2009138712-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-11-19 WO disclosed