SCHEMBL7271246

SCHEMBL7271246

Clc1ccc([C@@H]2CNc3ccccc3S2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 3/20 0.42
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
SLC6A3 Q01959 2/20 0.39
GSK3B P49841 3/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TNKS2 Q9H2K2 1/20 0.37
IDO1 P14902 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
MECP2 P51608 1/20 0.36
MBD2 Q9UBB5 1/20 0.36
CACNA1C Q13936 1/20 0.36
SLC6A2 P23975 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
SCHEMBL7269824 1.00 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2HSD17B10MAPK1
SCHEMBL7269831 1.00 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2HSD17B10MAPK1
SCHEMBL3623346 0.86 HSD17B10 (0.56) ALDH1A1TSHRSMN1; SMN2HSD17B10MAPK1
SCHEMBL11441332 0.84 ALDH1A1 (0.41) ALDH1A1TSHRSMN1; SMN2HSD17B10MAPK1
SCHEMBL7276567 0.83 GAA (0.60) ALDH1A1TSHRSMN1; SMN2HSD17B10MAPK1
SCHEMBL2362161 0.81 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2HSD17B10MAPK1
SCHEMBL17634089 0.80 TP53 (0.46) ALDH1A1TSHRSMN1; SMN2HSD17B10MAPK1
SCHEMBL7270932 0.73 SLC6A3 (0.39) ALDH1A1SMN1; SMN2SLC6A3GSK3BBCHE
SCHEMBL7271513 0.73 SLC6A3 (0.39) ALDH1A1SMN1; SMN2SLC6A3GSK3BBCHE
SCHEMBL7277465 0.73 SLC6A3 (0.39) ALDH1A1SMN1; SMN2SLC6A3GSK3BBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441539-B1 Thiazine (or oxazine) derivatives and preparation thereof TANABE SEIYAKU CO (JP) 1996-04-10 EP disclosed
US-5496815-A TREATMENT OF ISCHEMIC ENCEPHALOPATHIA TANABE SEIYAKU CO., LTD. (JP) 1996-03-05 US disclosed
CN-1029963-C Process for preparing benzo-naphtho-derivatives of thiazines or oxazines TANABE SEIYAKU CO (JP) 1995-10-11 CN disclosed
US-5281592-A Calcium antagonist, antiischemic agents, brains, nervous system disorders TANABE SEIYAKU CO., LTD. (JP) 1994-01-25 US disclosed
US-5246929-A Prophylaxis or treatment of ischemic encephalopathia TANABE SEIYAKU CO., LTD. (JP) 1993-09-21 US disclosed
CN-1054065-A Thiazine or  oxazine derivative and preparation method thereof TANABE SEIYAKU CO (JP) 1991-08-28 CN disclosed
EP-0441539-A2 Thiazine (or oxazine) derivatives and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1991-08-14 EP disclosed