SCHEMBL10822282

SCHEMBL10822282

NC(=O)C(N)=Nc1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 4/20 0.37
TSHR P16473 1/20 0.37
NOS1 P29475 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HTT P42858 2/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
GFER P55789 1/20 0.36
FBP1 P09467 1/20 0.34
PDK1 Q15118 1/20 0.34
HSP90AA1 P07900 2/20 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
SCHEMBL2393252 0.79
SCHEMBL1258975 0.78
Hydrochloric Acid SCHEMBL28834416 0.78 HSD17B10 (0.41) ALDH1A1HSD17B10TSHRNOS1L3MBTL1
SCHEMBL16571551 0.76
Sulfuric Acid SCHEMBL28785882 0.76 ACP1 (0.37) ALDH1A1HSD17B10TSHRNOS1L3MBTL1
SCHEMBL8932378 0.71
SCHEMBL27309845 0.70 NPC1 (0.48) ALDH1A1L3MBTL1KDM4EKMT2AMAPK1
SCHEMBL27655459 0.69 MAPT (0.31) ALDH1A1HSD17B10TSHRNOS1L3MBTL1
SCHEMBL9231887 0.69 RBBP9 (0.35) ALDH1A1HSD17B10TSHRNOS1L3MBTL1
SCHEMBL2153731 0.69 KMT2A (0.48) ALDH1A1NOS1L3MBTL1MAPTKDM4E

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
JP-61072788-A None JP disclosed
JP-S6172788-A NOVEL SYNTHETIC METHOD OF CEPHALOSPORIN TOYAMA CHEM CO LTD 1986-04-14 JP disclosed