SCHEMBL7680922

SCHEMBL7680922

CC(=O)C=Cc1cc(Cl)sc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
LMNA P02545 2/20 0.42
DAO P14920 1/20 0.41
KDR P35968 4/20 0.40
IAPP P10997 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GSK3B P49841 1/20 0.38
GLA P06280 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGS1 P23219 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
PLA2G10 O15496 1/20 0.33

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
SCHEMBL7680918 1.00 MAPT (0.42) MAPTLMNADAOKDRIAPP
SCHEMBL25263008 0.80 DAO (0.44) MAPTDAOKDRMAOAMAOB
SCHEMBL9520363 0.69 MAOA (0.51) MAPTLMNADAOIAPPMAOA
SCHEMBL9520373 0.69 MAOA (0.51) MAPTLMNADAOIAPPMAOA
SCHEMBL23363063 0.69
SCHEMBL16750376 0.68 MAPT (0.43) MAPTLMNAIAPPMAOBKDM4E
SCHEMBL13851449 0.67 GLA (0.46) MAPTLMNADAOIAPPMAOA
SCHEMBL1404944 0.67 MAPT (0.63) MAPTLMNAMAOBKDM4ETDP1
SCHEMBL7687333 0.67 MAPT (0.46) MAPTLMNAIAPPMAOBKDM4E
SCHEMBL31356854 0.67 MAPT (0.63) MAPTLMNAMAOBKDM4ETDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed
EP-0950418-A2 Composition for preventing or treating ischemic disease Takeda Chemical Industries, Ltd. (JP) 1999-10-20 EP disclosed