SCHEMBL28294798

SCHEMBL28294798

NCc1ccc(OC(=O)CCCS)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.47
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
F2 P00734 2/20 0.42
TPSAB1 Q15661 3/20 0.40
ST14 Q9Y5Y6 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
MEN1 O00255 2/20 0.37
EGFR P00533 2/20 0.37
ERBB2 P04626 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37

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
SCHEMBL7631432 0.79 PRSS1 (0.55) KMT2AHSD17B10ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL4433825 0.78 BCL9 (0.55) KMT2AHSD17B10ALDH1A1LMNAMAPT
SCHEMBL17449174 0.78 KMT2A (0.55) KMT2AHSD17B10ALDH1A1LMNAMAPT
SCHEMBL7623360 0.74 PRSS1 (0.58) KMT2AHSD17B10ALDH1A1LMNAMAPT
SCHEMBL23798950 0.73 KMT2A (0.49) KMT2AHSD17B10ALDH1A1LMNAMAPT
SCHEMBL23799441 0.73 KMT2A (0.51) KMT2AHSD17B10ALDH1A1LMNAMAPT
SCHEMBL21470053 0.72 KMT2A (0.50) KMT2AHSD17B10ALDH1A1LMNAMAPT
SCHEMBL1237850 0.72 SLC6A4 (0.54) KMT2AHSD17B10ALDH1A1LMNAMAPT
SCHEMBL28372521 0.72 KMT2A (0.55) KMT2AHSD17B10ALDH1A1LMNAMAPT
SCHEMBL20564903 0.72 KMT2A (0.58) KMT2AHSD17B10ALDH1A1LMNAMAPT

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
CN-109796383-A 1- sulfur phenenyl-N- acetyl -2- naphthylamines and its derivative and synthetic method 湘潭大学 2019-05-24 CN claimed
CN-109796383-A 1- sulfur phenenyl-N- acetyl -2- naphthylamines and its derivative and synthetic method 湘潭大学 2019-05-24 CN disclosed