SCHEMBL2872125

SCHEMBL2872125

CCNC(=O)C1(C(=O)O)C=CNC(c2ccccn2)=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
KDM5C P41229 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
KDM3A Q9Y4C1 1/20 0.34
HPGDS O60760 2/20 0.34
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
HSD17B10 Q99714 3/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL2878070 0.88 HPGDS (0.46) KDM4EHPGDSSMN1; SMN2ALDH1A1
SCHEMBL93597 0.85 KDM4E (0.42) KDM4EHTTLMNAL3MBTL1KDM6B
SCHEMBL2876748 0.84 ASAH1 (0.41) KDM4EL3MBTL1SMN1; SMN2RAB9ANPC1
SCHEMBL2872141 0.81 ATM (0.38) KDM4EL3MBTL1
Thiocyanic Acid SCHEMBL1615957 0.79 KDM4E (0.37) KDM4EHTTLMNAL3MBTL1KDM6B
SCHEMBL821038 0.78 KDM4E (0.41) KDM4EHTTLMNAL3MBTL1KDM6B
SCHEMBL8357911 0.75 KDM4E (0.40) KDM4ELMNAL3MBTL1KDM6BKDM4A
SCHEMBL435395 0.69 KDM4E (0.42) KDM4EHTTLMNAL3MBTL1HSD17B10
SCHEMBL7054134 0.68 KDM4E (0.38) KDM4EHTTLMNAL3MBTL1KDM6B
SCHEMBL1311500 0.67 KDM4E (0.39) KDM4EHTTLMNAL3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010043866-A2 HISTONE LYSINE DEMETHYLASE INHIBITORS ISIS INNOVATION LIMITED (GB) 2010-04-22 WO disclosed