SCHEMBL7100775

SCHEMBL7100775

CCn1c(=Nc2ccc(OC)cc2)sc2ncccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.51
MMP10 P09238 2/20 0.43
MAPT P10636 5/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPK1 P28482 1/20 0.41
OPRK1 P41145 1/20 0.41
ATM Q13315 1/20 0.41
THRB P10828 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
LIPG Q9Y5X9 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL7100771 1.00 KAT2B (0.51) KAT2BMMP10MAPTRAB9AKDM4E
SCHEMBL7095433 0.91 KAT2B (0.49) KAT2BMMP10MAPTRAB9AKDM4E
SCHEMBL7095432 0.91 KAT2B (0.49) KAT2BMMP10MAPTRAB9AKDM4E
SCHEMBL7096406 0.89 KAT2B (0.47) KAT2BMMP10MAPTRAB9AKDM4E
SCHEMBL7096404 0.89 KAT2B (0.47) KAT2BMMP10MAPTRAB9AKDM4E
SCHEMBL7099943 0.87 KAT2B (0.47) KAT2BMAPTRAB9ACA12CA1
SCHEMBL7099940 0.87 KAT2B (0.47) KAT2BMAPTRAB9ACA12CA1
SCHEMBL7096052 0.87 KAT2B (0.47) KAT2BMMP10MAPTRAB9AKDM4E
SCHEMBL7097105 0.87 MAPT (0.49) KAT2BMAPTKDM4ETHRBTDP1
SCHEMBL7096054 0.87 KAT2B (0.47) KAT2BMMP10MAPTRAB9AKDM4E

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