SCHEMBL5314302

SCHEMBL5314302

O=[C]CNC(=O)c1ccco1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
SMN1; SMN2 Q16637 2/20 0.62
PKM P14618 1/20 0.62
HPGD P15428 1/20 0.60
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 6/20 0.55
MEN1 O00255 4/20 0.55
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51

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
SCHEMBL11360445 0.84 CTSL (0.64) ALDH1A1SMN1; SMN2PKMHPGDNPC1
SCHEMBL16364129 0.84 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2PKMHPGDNPC1
SCHEMBL11683297 0.81 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2PKMHPGDNPC1
SCHEMBL11597081 0.80 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2PKMHPGDNPC1
SCHEMBL4587893 0.79 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2PKMHPGDNPC1
SCHEMBL23521348 0.79 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2PKMHPGDNPC1
SCHEMBL7747888 0.79 TMEM97 (0.48) ALDH1A1SMN1; SMN2PKMHPGDNPC1
SCHEMBL13074753 0.79 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2PKMHPGDNPC1
SCHEMBL6361865 0.79 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2PKMHPGDNPC1
SCHEMBL10842770 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2PKMHPGDNPC1

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
WO-2007066099-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-14 WO disclosed
WO-2007066103-A1 PYRIMIDINE DERIVATIVES AS CLASS I PI3K INHIBITOR ASTRAZENECA AB (SE) 2007-06-14 WO disclosed
EP-1512692-A2 Novel inhibitors of prenylated pyrophosphate consuming enzymes Universiteit Leiden (NL) 2005-03-09 EP disclosed
US-20040121941-A1 Novel inhibitors of prenylated pyrophosphate consuming enzymes RIJKSUNIVERSITEIT LEIDEN (NL) 2004-06-24 US disclosed
US-6624147-B1 Inhibiting protein:prenyl transferases, such as protein:geranylgeranyl transferase-1, and other prenyl pyrophosphate-consuming enzymes such as squalene synthase and geranylgeranyl pyrophosphate synthase are disclosed. RIJKSUNIVERSITEIT LEIDEN (NL) 2003-09-23 US disclosed
EP-1090909-A1 Novel inhibitors of prenylated pyrophosphate consuming enzymes RIJKSUNIVERSITEIT LEIDEN (NL) 2001-04-11 EP disclosed