SCHEMBL1850872

SCHEMBL1850872

O=C(O)c1ccnc(-c2cccc3sc(CO)cc23)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 11/20 0.49
KDM5C P41229 6/20 0.46
KDM4A O75164 4/20 0.46
KDM4E B2RXH2 4/20 0.46
KDM6B O15054 3/20 0.46
KDM2A Q9Y2K7 3/20 0.46
KDM3A Q9Y4C1 3/20 0.46
KDM5B Q9UGL1 6/20 0.43
KDM4B O94953 3/20 0.43
S1PR5 Q9H228 2/20 0.43
P4HA1 P13674 1/20 0.42
KDM5A P29375 3/20 0.41
KDM2B Q8NHM5 1/20 0.41
ROCK1 Q13464 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
SCHEMBL3215570 0.86 KDM4C (0.40) KDM4CKDM5CKDM4AKDM4EKDM6B
SCHEMBL1850714 0.86 KDM4E (0.49) KDM4CKDM5CKDM4EKDM6BKDM2A
SCHEMBL1850224 0.81 KDM4C (0.48) KDM4CKDM5CKDM4AKDM4EKDM6B
SCHEMBL1846917 0.80 GPR52 (0.57) KDM4CROCK1
SCHEMBL1851004 0.75 KDM4E (0.48) KDM4CKDM5CKDM4EKDM6BKDM2A
SCHEMBL28883634 0.72 KDM4C (0.66) KDM4CKDM5CKDM4AKDM4EKDM6B
SCHEMBL21310976 0.71 KDM4C (0.54) KDM4CKDM5CKDM4AKDM4EKDM6B
SCHEMBL1851534 0.70 S1PR5 (0.51) S1PR5
SCHEMBL70700 0.69 KDM4C (0.78) KDM4CKDM5CKDM4AKDM4EKDM6B
SCHEMBL29407015 0.69 KDM4C (0.78) KDM4CKDM5CKDM4AKDM4EKDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed