SCHEMBL28296510

SCHEMBL28296510

NC(=O)NSSc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MGLL Q99685 1/20 0.44
SIRT1 Q96EB6 2/20 0.40
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
RECQL P46063 2/20 0.38
POLB P06746 1/20 0.38
PARP1 P09874 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL608887 0.79 HSD17B10 (0.48) HSD17B10MAPTHPGDSMN1; SMN2MGLL
SCHEMBL158241 0.78 SIRT1 (0.42) HSD17B10MAPTHPGDSMN1; SMN2MGLL
SCHEMBL10354348 0.78 HPGD (0.42) HSD17B10MAPTHPGDSMN1; SMN2MGLL
Urea SCHEMBL27863158 0.77 HPGD (0.67) HSD17B10MAPTHPGDSMN1; SMN2MGLL
SCHEMBL10862913 0.76 SMN1; SMN2 (0.43) HSD17B10MAPTHPGDSMN1; SMN2MGLL
Carbamic Acid SCHEMBL27979510 0.75 HPGD (0.63) HSD17B10MAPTHPGDSMN1; SMN2MGLL
SCHEMBL6686836 0.75 HPGD (0.39) HSD17B10MAPTHPGDSMN1; SMN2MGLL
Dimethylamine SCHEMBL27576834 0.73 LMNA (0.40) HSD17B10MAPTHPGDSMN1; SMN2SIRT1
Carbamic Acid SCHEMBL27979507 0.71 HSD17B10 (0.57) HSD17B10MAPTHPGDSMN1; SMN2MGLL
SCHEMBL28144870 0.71 MAPT (0.50) HSD17B10MAPTHPGDSMN1; SMN2MGLL

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
CN-109790127-A Compound with nitrogenous associative groups 阿肯马法国公司 2019-05-21 CN disclosed