SCHEMBL19372016

SCHEMBL19372016

c1ccc2sc(CCc3nc4ccccc4s3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.70
ASIC3 Q9UHC3 1/20 0.70
PDE10A Q9Y233 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.64
HTT P42858 2/20 0.64
ALOX15 P16050 1/20 0.64
RAB9A P51151 4/20 0.62
HPGD P15428 3/20 0.62
NPC1 O15118 3/20 0.59
MAPK1 P28482 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
HTR1A P08908 1/20 0.57
DRD2 P14416 1/20 0.57
SLC6A4 P31645 1/20 0.57
HTR7 P34969 1/20 0.57
MAPT P10636 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL9641726 0.91 SMN1; SMN2 (0.70) UBE2TASIC3PDE10ASMN1; SMN2HTT
2-Phenethylbenzo[D]Thiazole SCHEMBL11795321 0.90 SMN1; SMN2 (0.59) UBE2TASIC3PDE10ASMN1; SMN2HTT
SCHEMBL8904885 0.88 UBE2T (0.61) UBE2TASIC3PDE10ASMN1; SMN2HTT
SCHEMBL3529770 0.88 UBE2T (0.72) UBE2TASIC3PDE10ASMN1; SMN2HTT
SCHEMBL9393861 0.88 UBE2T (0.67) UBE2TASIC3PDE10ASMN1; SMN2HTT
SCHEMBL29406561 0.88 UBE2T (0.61) UBE2TASIC3PDE10ASMN1; SMN2HTT
SCHEMBL6240191 0.88 UBE2T (0.61) UBE2TASIC3PDE10ASMN1; SMN2HTT
SCHEMBL3919004 0.88 UBE2T (0.61) UBE2TASIC3PDE10ASMN1; SMN2HTT
SCHEMBL5154626 0.88 UBE2T (0.61) UBE2TASIC3PDE10ASMN1; SMN2HTT
SCHEMBL12511 0.88 UBE2T (0.61) UBE2TASIC3PDE10ASMN1; SMN2HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526129-B1 ETHYLENE POLYMERISATION PROCESS SAUDI BASIC IND CORP (SABIC) (SA) 2017-09-27 EP disclosed