SCHEMBL2117280

SCHEMBL2117280

Cn1cnc2[nH]cnc2c1=S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
PTGS1 P23219 1/20 0.39
HBB P68871 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PIK3CG P48736 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GDA Q9Y2T3 1/20 0.33
YTHDC1 Q96MU7 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 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
SCHEMBL1915 0.77 PIK3CG (0.44) ALDH1A1KDM4ETP53HPGDPTGS1
SCHEMBL1992699 0.77 ALDH1A1 (0.43) ALDH1A1PIK3CGPIK3C3GDALMNA
SCHEMBL2414860 0.69 GDA (0.49) ALDH1A1PIK3CGPIK3C3GDALMNA
SCHEMBL2117284 0.69 CYP2C19 (0.48) ALDH1A1KDM4ETP53HPGDPTGS1
SCHEMBL2118529 0.69 ALDH1A1 (0.36) ALDH1A1KDM4ETP53HPGDPTGS1
SCHEMBL13593784 0.67 PIK3CG (0.50) ALDH1A1TDP1PIK3CGPIK3C3MEN1
Mercaptopurine Anhydrous SCHEMBL12683725 0.66 ALDH1A1 (0.48) ALDH1A1KDM4ETP53HPGDPTGS1
SCHEMBL12411008 0.62 MEN1 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL1993927 0.62 ADORA2A (0.41) ALDH1A1SMN1; SMN2TSHRADORA2A
SCHEMBL21356428 0.61 PIK3CG (0.37) ALDH1A1PIK3CGPIK3C3MEN1KMT2A

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 5 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