SCHEMBL4025720

SCHEMBL4025720

Cc1nc(N2CCCNC2=O)sc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
SCD O00767 8/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 2/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL4023755 0.92 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL243814 0.83 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2KDM4EMAPT
SCHEMBL244427 0.80 SCD (0.40) PIK3CDPIK3CAPIK3CBALDH1A1TSHR
SCHEMBL31741937 0.76 SMN1; SMN2 (0.34) ALDH1A1TSHRSMN1; SMN2L3MBTL1
SCHEMBL241170 0.75 ALDH1A1 (0.55) ALDH1A1HPGDTSHRSMN1; SMN2KDM4E
SCHEMBL13787617 0.74 PIK3CD (0.74) PIK3CDPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL16432263 0.74 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL16404868 0.73 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL30712341 0.72 SMN1; SMN2 (0.35) TSHRSMN1; SMN2MAPTL3MBTL1
SCHEMBL243883 0.72 SCD (0.53) PIK3CDPIK3CAPIK3CBALDH1A1HPGD

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-2054408-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL Novartis Ag (CH) 2009-05-06 EP disclosed
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 WO disclosed
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 WO disclosed