SCHEMBL7096641

SCHEMBL7096641

CCn1c(=O)c2cccnc2s/c1=N\c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 6/20 0.43
ALDH1A1 P00352 4/20 0.41
LIPG Q9Y5X9 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37

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
SCHEMBL7096644 1.00 KAT2B (0.43) KAT2BALDH1A1LIPGMAPTMEN1
SCHEMBL7102653 0.90 KAT2B (0.41) KAT2BALDH1A1LIPGMAPTSMN1; SMN2
SCHEMBL7102651 0.90 KAT2B (0.41) KAT2BALDH1A1LIPGMAPTSMN1; SMN2
SCHEMBL7099940 0.90 KAT2B (0.47) KAT2BALDH1A1LIPGMAPTMEN1
SCHEMBL7099943 0.90 KAT2B (0.47) KAT2BALDH1A1LIPGMAPTMEN1
SCHEMBL7096659 0.89 KAT2B (0.41) KAT2BMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7097091 0.89 KAT2B (0.47) KAT2BALDH1A1KMT2AKDM4E
SCHEMBL7096660 0.89 KAT2B (0.41) KAT2BMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7099274 0.89 KAT2B (0.47) KAT2BALDH1A1KMT2AKDM4E
SCHEMBL7099625 0.88 MAPT (0.49) KAT2BALDH1A1MAPTKMT2ANPC1

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