SCHEMBL4023755

SCHEMBL4023755

Cc1nc(N2CCNC2=O)sc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.54
PIK3CA P42336 1/20 0.54
PIK3CB P42338 1/20 0.54
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
SCD O00767 8/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 4/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4025720 0.92 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBTSHRALDH1A1
SCHEMBL244427 0.88 SCD (0.40) PIK3CDPIK3CAPIK3CBTSHRALDH1A1
SCHEMBL241170 0.82 ALDH1A1 (0.55) TSHRALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL243082 0.78 SCD (0.70) SCD
SCHEMBL16432263 0.76 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBTSHRALDH1A1
SCHEMBL243814 0.75 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2CYP1A2HSD17B10
SCHEMBL243883 0.74 SCD (0.53) PIK3CDPIK3CAPIK3CBTSHRALDH1A1
SCHEMBL348399 0.74 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBTSHRALDH1A1
SCHEMBL4025384 0.73 RORC (0.35) PIK3CDPIK3CAPIK3CBTSHRALDH1A1
SCHEMBL242203 0.73 SCD (0.52) PIK3CDPIK3CAPIK3CBSCDSMN1; SMN2

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-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