SCHEMBL2302398

SCHEMBL2302398

CCOC(=O)c1sc(NC(=O)c2ccc(N3CCN(C(=O)O)CC3)nc2)nc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
MAPT P10636 3/20 0.59
HPGD P15428 3/20 0.59
KDM4E B2RXH2 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
LMNA P02545 3/20 0.59
HTT P42858 3/20 0.59
ALDH1A1 P00352 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
P2RY12 Q9H244 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
PPARG P37231 1/20 0.54
NCOA2 Q15596 1/20 0.54
NCOA1 Q15788 1/20 0.54

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
SCHEMBL2355302 0.91 MAPT (0.55) SMN1; SMN2MAPTHPGDKDM4EMEN1
SCHEMBL2304830 0.86 ALDH1A1 (0.58) SMN1; SMN2MAPTHPGDKDM4EMEN1
SCHEMBL2303642 0.85 ADORA3 (0.55) SMN1; SMN2MAPTHPGDKDM4EMEN1
SCHEMBL2357175 0.83 ADORA3 (0.53) SMN1; SMN2MAPTHPGDKDM4EMEN1
SCHEMBL2302641 0.81 MEN1 (0.66) SMN1; SMN2MAPTHPGDKDM4EMEN1
SCHEMBL2363666 0.81 ADORA3 (0.50) SMN1; SMN2MAPTHPGDKDM4EMEN1
SCHEMBL2301452 0.81 ADORA3 (0.51) SMN1; SMN2MAPTHPGDKDM4EMEN1
SCHEMBL2300888 0.80 ADORA3 (0.62) SMN1; SMN2MAPTHPGDKDM4ELMNA
SCHEMBL2300926 0.80 ADORA3 (0.59) SMN1; SMN2MAPTHPGDKDM4EMEN1
SCHEMBL2301455 0.80 ADORA3 (0.51) SMN1; SMN2MAPTHPGDKDM4EMEN1

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-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed