SCHEMBL9564417

SCHEMBL9564417

CCN/C(=C\C(=O)c1ccccn1)SC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
PKM P14618 2/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
TOP2A P11388 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL9564421 1.00 KDM4E (0.49) KDM4ELMNAL3MBTL1HTTSMN1; SMN2
SCHEMBL29601190 0.79 KMT2A (0.55) KDM4ELMNAL3MBTL1SMN1; SMN2NPC1
SCHEMBL11051347 0.79 KMT2A (0.55) KDM4ELMNAL3MBTL1SMN1; SMN2NPC1
SCHEMBL9564366 0.75 GAA (0.50) KDM4ELMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL9564371 0.75 GAA (0.50) KDM4ELMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL9564388 0.74 MAPT (0.52) KDM4EHTTSMN1; SMN2NPC1RAB9A
SCHEMBL2692097 0.74 MAPT (0.52) KDM4EHTTSMN1; SMN2NPC1RAB9A
SCHEMBL2692103 0.74 MAPT (0.52) KDM4EHTTSMN1; SMN2NPC1RAB9A
SCHEMBL2516053 0.74 KDM4E (0.69) KDM4ELMNAL3MBTL1HTTSMN1; SMN2
SCHEMBL27039700 0.74 EGFR (0.52) KDM4ELMNASMN1; SMN2NPC1RAB9A

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
EP-0563686-A1 Utilization of 3 substituted amino isoxazole derivatives against endoparasites, new 3 substituted amino isoxazols and process for their preparation BAYER AG (DE) 1993-10-06 EP disclosed