SCHEMBL8539491

SCHEMBL8539491

N=C(N)Nc1cccc(C(=O)NCC(=C(C(=O)O)c2ccccc2)c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GPR139 Q6DWJ6 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6366986 0.78 PLA2G10 (0.47) KCNK3KCNK9SMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL6368863 0.77 PLA2G10 (0.46) KCNK3KCNK9SMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL6773326 0.77 PLA2G10 (0.46) KCNK3KCNK9SMN1; SMN2LMNAMAPT
SCHEMBL7343748 0.77 MEN1 (0.46) KCNK3KCNK9SMN1; SMN2LMNAMAPT
SCHEMBL7372871 0.76 PLK4 (0.50) KCNK3KCNK9SMN1; SMN2NPC1RAB9A
SCHEMBL7343738 0.76 PLK4 (0.47) KCNK3KCNK9SMN1; SMN2LMNAMAPT
SCHEMBL244262 0.75 ITGB1 (0.44) KCNK3KCNK9SMN1; SMN2LMNAMAPT
SCHEMBL26033646 0.75 PLK4 (0.49) KCNK3KCNK9SMN1; SMN2NPC1RAB9A
SCHEMBL244261 0.74 ITGB3 (0.50) GPR139MEN1KMT2AATM
SCHEMBL8538573 0.74 EPHX2 (0.41) KCNK3KCNK9SMN1; SMN2LMNAMAPT

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-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed