SCHEMBL7097429

SCHEMBL7097429

O=c1c2cccnc2sc(=Nc2ccc(Cl)cc2)n1CCCCCO

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.42
EP300 Q09472 2/20 0.42
CREBBP Q92793 2/20 0.42
KAT2A Q92830 2/20 0.42
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
ADORA2A P29274 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.34
CNR2 P34972 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL7097428 1.00 KAT2B (0.42) KAT2BEP300CREBBPKAT2AMAPT
SCHEMBL7096021 0.92 KAT2B (0.46) KAT2BEP300CREBBPKAT2AMAPT
SCHEMBL7096022 0.92 KAT2B (0.46) KAT2BEP300CREBBPKAT2AMAPT
SCHEMBL7098771 0.85 KAT2B (0.46) KAT2BEP300CREBBPKAT2AMAPT
SCHEMBL7097076 0.85 KAT2B (0.46) KAT2BEP300CREBBPKAT2AMAPT
SCHEMBL7096892 0.83 POLB (0.48) KAT2BEP300CREBBPKAT2AMAPT
SCHEMBL7096891 0.83 POLB (0.48) KAT2BEP300CREBBPKAT2AMAPT
SCHEMBL7099274 0.83 KAT2B (0.47) KAT2BEP300CREBBPKAT2AKDM4E
SCHEMBL7097091 0.83 KAT2B (0.47) KAT2BEP300CREBBPKAT2AKDM4E
SCHEMBL7101198 0.82 KAT2B (0.45) KAT2BEP300CREBBPKAT2AKDM4E

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