SCHEMBL7095386

SCHEMBL7095386

CCOC(=O)Cn1c(=O)c2cccnc2s/c1=N\c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
P2RX3 P56373 2/20 0.41
EP300 Q09472 2/20 0.40
CREBBP Q92793 2/20 0.40
KAT2A Q92830 2/20 0.40
KAT2B Q92831 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
ENPP2 Q13822 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
SCHEMBL7095388 1.00 KMT2A (0.49) KMT2AMEN1NPSR1CYP1A2CYP2C9
SCHEMBL7095424 0.89 TNF (0.46) KMT2AMEN1NPSR1EP300CREBBP
SCHEMBL7095422 0.89 TNF (0.46) KMT2AMEN1NPSR1EP300CREBBP
SCHEMBL7102769 0.87 KAT2B (0.44) KMT2ANPSR1MAPTRAB9AEP300
SCHEMBL7102768 0.87 KAT2B (0.44) KMT2ANPSR1MAPTRAB9AEP300
SCHEMBL7101196 0.86 KAT2B (0.45) KMT2ANPSR1ALDH1A1EP300CREBBP
SCHEMBL7101198 0.86 KAT2B (0.45) KMT2ANPSR1ALDH1A1EP300CREBBP
SCHEMBL7099274 0.85 KAT2B (0.47) KMT2ANPSR1ALDH1A1EP300CREBBP
SCHEMBL7097091 0.85 KAT2B (0.47) KMT2ANPSR1ALDH1A1EP300CREBBP
SCHEMBL7097076 0.83 KAT2B (0.46) KMT2ANPSR1MAPTHTTALDH1A1

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