SCHEMBL7096005

SCHEMBL7096005

O=c1c2cccnc2s/c(=N\c2ccc(Br)cc2)n1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 8/20 0.49
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 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
CYP3A4 P08684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7096007 1.00 KAT2B (0.49) KAT2BALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7101449 0.92 KAT2B (0.54) KAT2BALDH1A1PDE4APDE4BPDE4C
SCHEMBL7101446 0.92 KAT2B (0.54) KAT2BALDH1A1PDE4APDE4BPDE4C
SCHEMBL7095419 0.90 KAT2B (0.51) KAT2BALDH1A1PDE4APDE4BPDE4C
SCHEMBL7095421 0.90 KAT2B (0.51) KAT2BALDH1A1PDE4APDE4BPDE4C
SCHEMBL7096656 0.89 KAT2B (0.52) KAT2BALDH1A1PDE4APDE4BPDE4C
SCHEMBL7096565 0.89 KAT2B (0.49) KAT2BALDH1A1PDE4APDE4BPDE4C
SCHEMBL7096657 0.89 KAT2B (0.52) KAT2BALDH1A1PDE4APDE4BPDE4C
SCHEMBL7096564 0.89 KAT2B (0.49) KAT2BALDH1A1PDE4APDE4BPDE4C
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