SCHEMBL7276863

SCHEMBL7276863

O=C1Nc2c(ccc3ccccc23)SC1c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
CYP1A1 P04798 4/20 0.38
CYP1A2 P05177 4/20 0.38
CYP1B1 Q16678 4/20 0.38
SLC6A3 Q01959 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.34
AR P10275 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL7271098 0.79 PPARG (0.49) CA2LMNAALDH1A1KMT2AMEN1
SCHEMBL7276511 0.76 HTR2C (0.38) CA2CYP1A1CYP1A2CYP1B1LMNA
SCHEMBL10650323 0.75 HSD17B10 (0.49) CA2LMNAALDH1A1KMT2AKDM4E
SCHEMBL7277465 0.73 SLC6A3 (0.39) CYP1A1CYP1A2CYP1B1SLC6A3SLC6A2
SCHEMBL7270932 0.73 SLC6A3 (0.39) CYP1A1CYP1A2CYP1B1SLC6A3SLC6A2
SCHEMBL7271513 0.73 SLC6A3 (0.39) CYP1A1CYP1A2CYP1B1SLC6A3SLC6A2
SCHEMBL7276707 0.71 CA2 (0.41) CA2CYP1A1CYP1A2CYP1B1SLC6A3
SCHEMBL10653418 0.70 CA2 (0.53) CA2LMNAALDH1A1KMT2AKDM4E
SCHEMBL7269675 0.69 CA2 (0.40) CA2SLC6A3SLC6A2LMNAALDH1A1
SCHEMBL7271620 0.67 PIM1 (0.57) CA2LMNAKMT2AHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4234860-A None JP disclosed
JP-4234861-A None JP disclosed
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
JP-H04234860-A THIAZINE (OR OXAZINE) DERIVATIVE, ITS PRODUCTION AND SYNTHETIC INTERMEDIATE THEREFOR TANABE SEIYAKU CO LTD 1992-08-24 JP disclosed
JP-H04234861-A THIAZINE (OR OXAZINE) DERIVATIVE, ITS PRODUCTION AND SYNTHETIC INTERMEDIATE THEREFOR TANABE SEIYAKU CO LTD 1992-08-24 JP disclosed
EP-0441539-A2 Thiazine (or oxazine) derivatives and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1991-08-14 EP disclosed