SCHEMBL6882223

SCHEMBL6882223

N=C(N)NCC(=O)c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HIF1A Q16665 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.49
MASP2 O00187 1/20 0.47
PLAU P00749 1/20 0.47
THPO P40225 1/20 0.47
APEX1 P27695 2/20 0.45
F2 P00734 2/20 0.45
PRSS1 P07477 1/20 0.45
PRSS3 P35030 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 4/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PARP10 Q53GL7 1/20 0.39
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL6882217 0.85 F2 (0.37) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL8003077 0.83 MAPT (0.54) KDM4EMAPTHIF1AF2MEN1
Hydrochloric Acid SCHEMBL11404950 0.82 MAPT (0.46) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL8727227 0.76 F2 (0.36) MAPTPLAUF2PRSS1PRSS3
SCHEMBL11365527 0.75 MAPT (0.56) KDM4EMAPTHIF1ASLC22A6SLC22A8
Bromide SCHEMBL11646455 0.75 MEN1 (0.49) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL27357774 0.74 MAPT (0.41) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL20852547 0.73 PARP1 (0.53) KDM4EMAPTF2MEN1KMT2A
SCHEMBL7238392 0.72 USP5 (0.44) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL6876467 0.71 LMNA (0.53) KDM4EMAPTHIF1ASLC22A6SLC22A8

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-0832091-B1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR INC (US) 2004-01-14 EP disclosed
CN-1190401-A C-4' modified adenosine kinase inhibitors GENSIA INC (US) 1998-08-12 CN disclosed