SCHEMBL7095424

SCHEMBL7095424

CCOC(=O)CCCn1c(=Nc2ccc(Cl)cc2)sc2ncccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNF P01375 12/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 1/20 0.40
GAA P10253 1/20 0.39
EGFR P00533 1/20 0.39
CTNNB1 P35222 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EP300 Q09472 1/20 0.38
CREBBP Q92793 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38

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
SCHEMBL7095422 1.00 TNF (0.46) TNFMEN1KMT2ACNR2GAA
SCHEMBL7095386 0.89 KMT2A (0.49) MEN1KMT2AGAANPSR1EP300
SCHEMBL7095388 0.89 KMT2A (0.49) MEN1KMT2AGAANPSR1EP300
SCHEMBL7097076 0.84 KAT2B (0.46) KMT2AGAANPSR1EP300CREBBP
SCHEMBL7098771 0.84 KAT2B (0.46) KMT2AGAANPSR1EP300CREBBP
SCHEMBL7097429 0.82 KAT2B (0.42) KMT2ACNR2GAANPSR1EP300
SCHEMBL7097428 0.82 KAT2B (0.42) KMT2ACNR2GAANPSR1EP300
SCHEMBL7096891 0.82 POLB (0.48) MEN1KMT2AGAANPSR1EP300
SCHEMBL7096892 0.82 POLB (0.48) MEN1KMT2AGAANPSR1EP300
SCHEMBL7096022 0.82 KAT2B (0.46) MEN1KMT2AGAANPSR1EP300

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