SCHEMBL11097583

SCHEMBL11097583

CCCC(O)CSc1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HSD17B10 Q99714 1/20 0.44
POLB P06746 2/20 0.42
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
AOC3 Q16853 2/20 0.37
BACE1 P56817 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL11096023 0.86 MEN1 (0.52) MEN1KMT2AHSD17B10POLBMAPT
SCHEMBL11592728 0.82 HSD17B10 (0.48) MEN1KMT2AHSD17B10POLBMAPT
SCHEMBL5835220 0.80 MEN1 (0.54) MEN1KMT2AHSD17B10POLBMAPT
SCHEMBL976855 0.79 MEN1 (0.52) MEN1KMT2AHSD17B10POLBMAPT
SCHEMBL30832932 0.79 MEN1 (0.52) MEN1KMT2AHSD17B10POLBMAPT
SCHEMBL11097562 0.78 KMT2A (0.48) MEN1KMT2AHSD17B10POLBMAPT
SCHEMBL11358074 0.75 MEN1 (0.42) MEN1KMT2AHSD17B10POLBMAPT
SCHEMBL3802466 0.74 KMT2A (0.52) MEN1KMT2AHSD17B10POLBMAPT
Water SCHEMBL10845621 0.73 S1PR1 (0.47) MAPTSMN1; SMN2SLC6A3MAPK1
SCHEMBL11353608 0.72 MAOA (0.67) MEN1KMT2AHSD17B10POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0061082-B1 PROCESS FOR THE PREPARATION OF 2,3-DIHYDRO-4H-1,4-BENZOTHIAZINES BAYER AG (DE) 1984-11-28 EP disclosed
US-4393206-A DEHYDROCYCLIZATION OF 2-(2-HYDROXYALKYL)-THIOANILINES BAYER AKTIENGESELLSCHAFT (DE) 1983-07-12 US disclosed
EP-0061082-A1 Process for the preparation of 2,3-dihydro-4H-1,4-benzothiazines BAYER AG (DE) 1982-09-29 EP disclosed