SCHEMBL7277465

SCHEMBL7277465

Clc1ccc([C@@H]2CNc3c(ccc4ccccc34)S2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 1/20 0.39
AR P10275 2/20 0.37
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
CYP2A6 P11509 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 1/20 0.32
CRHR2 Q13324 1/20 0.32
MECP2 P51608 1/20 0.32
MBD2 Q9UBB5 1/20 0.32

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
SCHEMBL7270932 1.00 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4ARKDM4E
SCHEMBL7271513 1.00 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4ARKDM4E
SCHEMBL7271246 0.73 ALDH1A1 (0.43) SLC6A3SLC6A2KDM4ENPSR1ALDH1A1
SCHEMBL7269824 0.73 ALDH1A1 (0.43) SLC6A3SLC6A2KDM4ENPSR1ALDH1A1
SCHEMBL7269831 0.73 ALDH1A1 (0.43) SLC6A3SLC6A2KDM4ENPSR1ALDH1A1
SCHEMBL7276863 0.73 CA2 (0.41) SLC6A3SLC6A2SLC6A4ARKDM4E
SCHEMBL1790645 0.65 ALDH1A1 (0.41) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL7271098 0.65 PPARG (0.49) NPSR1ALDH1A1KMT2AMEN1LMNA
SCHEMBL11316344 0.63 TAAR1 (0.38) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL1808446 0.63 ALDH1A1 (0.38) KDM4ENPSR1ALDH1A1KMT2AMEN1

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 5 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
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
EP-0441539-A2 Thiazine (or oxazine) derivatives and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1991-08-14 EP disclosed