SCHEMBL7453733

SCHEMBL7453733

CCOC(=O)C(CCCNC(=N)N)n1cnc2cncnc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.33
F10 P00742 4/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
F2 P00734 2/20 0.31
PRSS1 P07477 2/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
TSHR P16473 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
DNMT3B Q9UBC3 1/20 0.30

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
SCHEMBL7454146 0.87 DNMT3B (0.36) FDPSHDAC1HDAC6IRAK4DNMT3B
SCHEMBL7457885 0.82 FDPS (0.37) FDPSF10HDAC1HDAC6LMNA
SCHEMBL7450504 0.82 FDPS (0.41) FDPSHDAC1HDAC6LMNAMAPK1
SCHEMBL7595395 0.77 FDPS (0.39) FDPSHDAC1HDAC6LMNAMAPK1
SCHEMBL11904867 0.75 FDPS (0.40) FDPSHDAC1HDAC6LMNAKDM4E
SCHEMBL7452633 0.72 FDPS (0.40) FDPSHDAC1HDAC6LMNAMAPK1
SCHEMBL8464641 0.69 LTA4H (0.35) FDPSHDAC1HDAC6KDM4EALDH1A1
SCHEMBL8464663 0.69 LTA4H (0.35) FDPSHDAC1HDAC6KDM4EALDH1A1
SCHEMBL7451329 0.68 FDPS (0.41) FDPSHDAC1HDAC6LMNAALDH1A1
SCHEMBL14125938 0.66 FDPS (0.43) FDPSHDAC1HDAC6LMNAMAPK1

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-0920430-A1 PURINE DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-06-09 EP disclosed
WO-1998007725-A1 PURINE DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed