SCHEMBL9176248

SCHEMBL9176248

N[C@@H](CCSc1ncnc2nc[nH]c12)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
NPC1 O15118 4/20 0.55
LMNA P02545 4/20 0.55
RAB9A P51151 4/20 0.55
HTT P42858 3/20 0.55
PAK1 Q13153 1/20 0.54
HIF1A Q16665 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CDC7 O00311 6/20 0.50
DBF4 Q9UBU7 6/20 0.50
GAA P10253 1/20 0.49
G6PD P11413 1/20 0.48
CTNNB1 P35222 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL9176257 1.00 TSHR (0.56) TSHRNPC1LMNARAB9AHTT
SCHEMBL30999504 1.00 TSHR (0.56) TSHRNPC1LMNARAB9AHTT
SCHEMBL29098331 0.87 HIF1A (0.65) TSHRNPC1LMNARAB9AHTT
SCHEMBL9173815 0.87 HIF1A (0.65) TSHRNPC1LMNARAB9AHTT
SCHEMBL9176272 0.81 NOTUM (0.39) TSHR
SCHEMBL9176240 0.81 NOTUM (0.39) TSHR
SCHEMBL12113260 0.80 G6PD (0.55) TSHRNPC1LMNARAB9AHTT
Adenine SCHEMBL9663406 0.79 PI4KA (0.52) TSHRNPC1LMNARAB9AHTT
Adenine SCHEMBL23928077 0.78 PI4KA (0.54) TSHRNPC1LMNARAB9AHTT
SCHEMBL3396404 0.78 TSHR (0.78) TSHRNPC1LMNARAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426467-B1 Prodrugs of 6-mercaptopurine and 6-thioguanine WISCONSIN ALUMNI RES FOUND (US) 1995-04-05 EP disclosed
US-5120740-A PRODRUGS OF 6-MERCAPTOPURINE AND 6-THIOGUANINE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1992-06-09 US disclosed
EP-0426467-A1 Prodrugs of 6-mercaptopurine and 6-thioguanine WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1991-05-08 EP disclosed