SCHEMBL2117284

SCHEMBL2117284

Cn1cnc2nc[nH]c2c1=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
PIK3CG P48736 1/20 0.44
PIK3C3 Q8NEB9 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 4/20 0.39
HBB P68871 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 1/20 0.39
PTGS1 P23219 1/20 0.39
HTT P42858 4/20 0.39
HRH4 Q9H3N8 2/20 0.39
LMNA P02545 3/20 0.39
GMNN O75496 1/20 0.39
PGR P06401 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
SLC6A4 P31645 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
SCHEMBL29950717 0.77 PIK3CG (0.53) CYP2C19PIK3CGPIK3C3ALDH1A1KDM4E
SCHEMBL2115743 0.77 ALDH1A1 (0.52) CYP2C19PIK3CGPIK3C3ALDH1A1KDM4E
SCHEMBL8840800 0.69 CYP2C19 (0.51) CYP2C19ALDH1A1KDM4ETP53HBB
SCHEMBL2117280 0.69 ALDH1A1 (0.39) PIK3CGPIK3C3ALDH1A1KDM4ETP53
SCHEMBL2118527 0.69 PDPK1 (0.44) CYP2C19ALDH1A1TP53HBBSMN1; SMN2
Mercaptopurine Anhydrous SCHEMBL3895 0.68 ALDH1A1 (0.54) ALDH1A1KDM4ETP53HBBSMN1; SMN2
SCHEMBL13593784 0.67 PIK3CG (0.50) CYP2C19PIK3CGPIK3C3ALDH1A1TDP1
Mercaptopurine Anhydrous SCHEMBL141410 0.66 ALDH1A1 (0.52) ALDH1A1KDM4ETP53HBBSMN1; SMN2
SCHEMBL7990063 0.65 ALDH1A1 (0.47) PIK3CGPIK3C3ALDH1A1KDM4ENPC1
SCHEMBL2414856 0.65 ALDH1A1 (0.47) PIK3CGPIK3C3ALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119351-A1 THERAPY OF TUMORS AND INFECTIOUS AGENTS DEFICIENT IN METHYLTHIOADENOSINE PHOSPHORYLASE LUBIN ADAM (US) 2015-04-30 US disclosed
US-8796241-B2 Therapy of tumors and infectious agents deficient in methylthioadenosine phosphorylase LUBIN ADAM (US) 2014-08-05 US disclosed
US-20120094947-A1 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2012-04-19 US disclosed
EP-2192905-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE Lubin, Adam (US) 2010-06-09 EP disclosed
WO-2009032057-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2009-03-12 WO disclosed
US-5652359-A Oligonucleotides containing n-methyl thiolated bases having antiviral activity EPOCH PHARMACEUTICALS, INC. (US) 1997-07-29 US disclosed