SCHEMBL7101198

SCHEMBL7101198

O=C(O)Cn1c(=Nc2ccc(Cl)cc2)sc2ncccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.45
EP300 Q09472 2/20 0.45
CREBBP Q92793 2/20 0.45
KAT2A Q92830 2/20 0.45
TGM2 P21980 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.40
ADORA2A P29274 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SLC6A4 P31645 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LIPG Q9Y5X9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
AKR1B10 O60218 1/20 0.37
PDE5A O76074 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36

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
SCHEMBL7101196 1.00 KAT2B (0.45) KAT2BEP300CREBBPKAT2ATGM2
SCHEMBL7102769 0.90 KAT2B (0.44) KAT2BEP300CREBBPKAT2APTGDR2
SCHEMBL7102768 0.90 KAT2B (0.44) KAT2BEP300CREBBPKAT2APTGDR2
SCHEMBL7095386 0.86 KMT2A (0.49) KAT2BEP300CREBBPKAT2AKDM4E
SCHEMBL7095388 0.86 KMT2A (0.49) KAT2BEP300CREBBPKAT2AKDM4E
SCHEMBL7095419 0.86 KAT2B (0.51) KAT2BEP300CREBBPKAT2APTGDR2
SCHEMBL7095421 0.86 KAT2B (0.51) KAT2BEP300CREBBPKAT2APTGDR2
SCHEMBL7096021 0.86 KAT2B (0.46) KAT2BEP300CREBBPKAT2AADORA2A
SCHEMBL7096022 0.86 KAT2B (0.46) KAT2BEP300CREBBPKAT2AADORA2A
SCHEMBL7097091 0.85 KAT2B (0.47) KAT2BEP300CREBBPKAT2AADORA2A

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