SCHEMBL7096877

SCHEMBL7096877

Cn1c(=Nc2cccnc2)sc2ncccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
KAT2B Q92831 9/20 0.38
MAPK1 P28482 3/20 0.37
HTT P42858 3/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MPI P34949 1/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EP300 Q09472 2/20 0.35
CREBBP Q92793 2/20 0.35
KAT2A Q92830 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7096876 1.00 GSK3B (0.42) GSK3BALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL7099729 0.88 KAT2B (0.46) ALDH1A1MAPTKDM4EKAT2BMAPK1
SCHEMBL7099733 0.88 KAT2B (0.46) ALDH1A1MAPTKDM4EKAT2BMAPK1
SCHEMBL7099114 0.84 KAT2B (0.50) ALDH1A1SMN1; SMN2MAPTKDM4EKAT2B
SCHEMBL7099117 0.84 KAT2B (0.50) ALDH1A1SMN1; SMN2MAPTKDM4EKAT2B
SCHEMBL7099839 0.82 KAT2B (0.38) ALDH1A1SMN1; SMN2MAPTKAT2BL3MBTL1
SCHEMBL7096479 0.82 KAT2B (0.49) SMN1; SMN2MAPTKDM4EKAT2BNPSR1
SCHEMBL7096481 0.82 KAT2B (0.49) SMN1; SMN2MAPTKDM4EKAT2BNPSR1
SCHEMBL7096926 0.82 KAT2B (0.49) ALDH1A1SMN1; SMN2MAPTKAT2BL3MBTL1
SCHEMBL7096924 0.82 KAT2B (0.49) ALDH1A1SMN1; SMN2MAPTKAT2BL3MBTL1

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-0878196-B1 KAINIC ACID NEURONOTOXICITY INHIBITORS AND PYRIDOTHIAZINE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2003-09-03 EP disclosed
US-6133258-A PYRIDOTHIAZINE DERIVATIVE; FOR TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS, MULTIPLE SCLEROSIS, PAIN, GLAUCOMA YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed
EP-0878196-A1 KAINIC ACID NEURONOTOXICITY INHIBITORS AND PYRIDOTHIAZINE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-11-18 EP disclosed