SCHEMBL9834409

SCHEMBL9834409

Cn1cc(C(N)=O)c(=O)c2sc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MAP2K2 P36507 5/20 0.38
MAP2K1 Q02750 5/20 0.38
PKM P14618 1/20 0.34
MAOB P27338 2/20 0.33
DAPK3 O43293 1/20 0.33
CSNK1A1 P48729 1/20 0.33
LIMK1 P53667 1/20 0.33
TNK2 Q07912 1/20 0.33
ROCK1 Q13464 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
KMT2A Q03164 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
MAPK1 P28482 1/20 0.32
F2 P00734 1/20 0.32
TP53 P04637 1/20 0.31
DAO P14920 1/20 0.31
ADRA1D P25100 1/20 0.31

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
SCHEMBL9836136 0.87 DAO (0.42) KDM4EMAOBKMT2ABAZ2BBAZ2A
SCHEMBL9836198 0.84 KDM4E (0.39) KDM4EMAP2K2MAP2K1MAOBDAPK3
SCHEMBL9837349 0.77 IKBKB (0.49) KDM4EKMT2A
SCHEMBL6050600 0.73 KDM4E (0.43) KDM4EMAP2K2MAP2K1PKMKMT2A
Water SCHEMBL9837052 0.72 KDM4E (0.42) KDM4EMAP2K2MAP2K1PKMKMT2A
SCHEMBL6050616 0.71 KDM4E (0.56) KDM4EMAP2K2MAP2K1MAOBDAPK3
SCHEMBL9835125 0.70 HSD17B10 (0.43) KDM4EPKMMAOBKMT2ABAZ2B
SCHEMBL11278972 0.69 KDM4E (0.48) KDM4EPKMKMT2ADAO
SCHEMBL10563397 0.67 MEN1 (0.49) KDM4EKMT2ATP53
SCHEMBL10341192 0.67 KDM4E (0.49) KDM4EMAP2K2MAP2K1MAOBLIMK1

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
EP-0269295-B1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1991-06-26 EP disclosed
US-4877793-A CARDIOVASCULAR DISORDERS THE BOOTS COMPANY, PLC (GB) 1989-10-31 US disclosed
EP-0269295-A1 Therapeutic agents The Boots Company PLC (GB) 1988-06-01 EP disclosed