SCHEMBL7096892

SCHEMBL7096892

COCCn1c(=Nc2ccc(Cl)cc2)sc2ncccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
EP300 Q09472 2/20 0.44
CREBBP Q92793 2/20 0.44
KAT2A Q92830 2/20 0.44
KAT2B Q92831 2/20 0.44
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 6/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 3/20 0.42
ALDH1A1 P00352 8/20 0.39
CYP3A4 P08684 4/20 0.39
HSD17B10 Q99714 4/20 0.39
CASP1 P29466 4/20 0.39
CASP7 P55210 4/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 3/20 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
SCHEMBL7096891 1.00 POLB (0.48) POLBPKMEP300CREBBPKAT2A
SCHEMBL7098771 0.89 KAT2B (0.46) POLBPKMEP300CREBBPKAT2A
SCHEMBL7097076 0.89 KAT2B (0.46) POLBPKMEP300CREBBPKAT2A
SCHEMBL7096022 0.87 KAT2B (0.46) EP300CREBBPKAT2AKAT2BKDM4E
SCHEMBL7096021 0.87 KAT2B (0.46) EP300CREBBPKAT2AKAT2BKDM4E
SCHEMBL7099274 0.87 KAT2B (0.47) EP300CREBBPKAT2AKAT2BKDM4E
SCHEMBL7097091 0.87 KAT2B (0.47) EP300CREBBPKAT2AKAT2BKDM4E
SCHEMBL7097429 0.83 KAT2B (0.42) EP300CREBBPKAT2AKAT2BKDM4E
SCHEMBL7097428 0.83 KAT2B (0.42) EP300CREBBPKAT2AKAT2BKDM4E
SCHEMBL7096481 0.83 KAT2B (0.49) EP300CREBBPKAT2AKAT2BKDM4E

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