SCHEMBL10599653

SCHEMBL10599653

CC(C)OC(=O)c1ccc(OCC(O)CSc2nc3ncnc(N)c3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.47
PKM P14618 1/20 0.45
ENPP1 P22413 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NUDT1 P36639 1/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 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
SCHEMBL10627008 0.92 ENPP1 (0.48) APEX1PKMENPP1SMN1; SMN2LMNA
SCHEMBL10599316 0.90 PKM (0.46) APEX1PKMENPP1SMN1; SMN2LMNA
SCHEMBL10597447 0.89 APEX1 (0.53) APEX1PKMENPP1SMN1; SMN2LMNA
SCHEMBL10598003 0.77 LMNA (0.48) APEX1PKMENPP1SMN1; SMN2LMNA
SCHEMBL10601159 0.77 GAA (0.47) PKMENPP1LMNAALDH1A1NPSR1
SCHEMBL9692108 0.76 ENPP1 (0.46) APEX1PKMENPP1SMN1; SMN2LMNA
SCHEMBL10599314 0.75 MAPT (0.45) PKMSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL9122697 0.73 ENPP1 (0.48) APEX1PKMENPP1SMN1; SMN2LMNA
SCHEMBL9125618 0.71 APEX1 (0.55) APEX1PKMENPP1SMN1; SMN2LMNA
SCHEMBL10598073 0.68 HSPA5 (0.49) HSD17B10

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-0175325-B1 NEW 8-SUBSTITUTED NUCLEOSIDE AND PURINE DERIVATIVES, THE PROCESS FOR THE PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pierrel S.p.A. (IT) 1989-03-15 EP disclosed
US-4774325-A ANTILIPEMIC AGENTS PIERREL SPA (IT) 1988-09-27 US disclosed