SCHEMBL1850224

SCHEMBL1850224

O=C(O)c1ccnc(-c2cccc3cc(CO)sc23)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 12/20 0.48
KDM5C P41229 7/20 0.45
KDM4A O75164 6/20 0.45
KDM6B O15054 3/20 0.45
KDM2A Q9Y2K7 3/20 0.45
KDM3A Q9Y4C1 3/20 0.45
KDM4E B2RXH2 3/20 0.45
KDM5B Q9UGL1 7/20 0.43
KDM4B O94953 4/20 0.43
S1PR5 Q9H228 2/20 0.42
P4HA1 P13674 1/20 0.41
KDM5A P29375 3/20 0.40
KDM2B Q8NHM5 1/20 0.40
S1PR4 O95977 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
SCHEMBL3206270 0.86 KDM4C (0.40) KDM4CKDM5CKDM4AKDM6BKDM2A
SCHEMBL1853424 0.86 KDM4E (0.48) KDM4CKDM5CKDM6BKDM2AKDM3A
SCHEMBL1846891 0.82 S1PR5 (0.53) S1PR5S1PR4
SCHEMBL1850872 0.81 KDM4C (0.49) KDM4CKDM5CKDM4AKDM6BKDM2A
SCHEMBL1852635 0.80 GPR52 (0.57) KDM4CS1PR5S1PR4
SCHEMBL1850399 0.79 GPR52 (0.56) KDM4CKDM5CKDM4AKDM6BKDM2A
SCHEMBL1850820 0.79 MRGPRX4 (0.54) KDM4CS1PR5S1PR4
SCHEMBL1849882 0.77 GPR52 (0.57) KDM4CS1PR5S1PR4
SCHEMBL1851474 0.76 KDM4E (0.47) KDM4CKDM5CKDM6BKDM2AKDM3A
SCHEMBL1852370 0.76 GPR52 (0.52) KDM4CKDM5CKDM4AKDM6BKDM2A

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