SCHEMBL7096565

SCHEMBL7096565

O=c1c2cccnc2sc(=Nc2ccc(I)cc2)n1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 7/20 0.49
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
EP300 Q09472 3/20 0.40
CREBBP Q92793 3/20 0.40
KAT2A Q92830 3/20 0.40
LIPG Q9Y5X9 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
CNR1 P21554 1/20 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
SCHEMBL7096564 1.00 KAT2B (0.49) KAT2BPDE4APDE4BPDE4CPDE4D
SCHEMBL7101449 0.92 KAT2B (0.54) KAT2BPDE4APDE4BPDE4CPDE4D
SCHEMBL7101446 0.92 KAT2B (0.54) KAT2BPDE4APDE4BPDE4CPDE4D
SCHEMBL7095419 0.90 KAT2B (0.51) KAT2BPDE4APDE4BPDE4CPDE4D
SCHEMBL7095421 0.90 KAT2B (0.51) KAT2BPDE4APDE4BPDE4CPDE4D
SCHEMBL7096005 0.89 KAT2B (0.49) KAT2BPDE4APDE4BPDE4CPDE4D
SCHEMBL7096656 0.89 KAT2B (0.52) KAT2BPDE4APDE4BPDE4CPDE4D
SCHEMBL7096657 0.89 KAT2B (0.52) KAT2BPDE4APDE4BPDE4CPDE4D
SCHEMBL7096007 0.89 KAT2B (0.49) KAT2BPDE4APDE4BPDE4CPDE4D
SCHEMBL7100432 0.86 KAT2B (0.54) KAT2BPDE4APDE4BPDE4CPDE4D

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