SCHEMBL7096924

SCHEMBL7096924

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 9/20 0.49
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GRM1 Q13255 3/20 0.36
GRM5 P41594 1/20 0.36
EP300 Q09472 2/20 0.35
CREBBP Q92793 2/20 0.35
KAT2A Q92830 2/20 0.35
AURKA O14965 1/20 0.35
FEN1 P39748 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
NSD2 O96028 1/20 0.34
MCL1 Q07820 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL7096926 1.00 KAT2B (0.49) KAT2BNPC1RAB9ASMN1; SMN2GRM1
SCHEMBL7099114 0.89 KAT2B (0.50) KAT2BNPC1RAB9ASMN1; SMN2EP300
SCHEMBL7099117 0.89 KAT2B (0.50) KAT2BNPC1RAB9ASMN1; SMN2EP300
SCHEMBL7099729 0.88 KAT2B (0.46) KAT2BNPC1RAB9AEP300CREBBP
SCHEMBL7099733 0.88 KAT2B (0.46) KAT2BNPC1RAB9AEP300CREBBP
SCHEMBL7096481 0.88 KAT2B (0.49) KAT2BSMN1; SMN2EP300CREBBPKAT2A
SCHEMBL7099838 0.88 KAT2B (0.38) KAT2BNPC1RAB9ASMN1; SMN2EP300
SCHEMBL7096479 0.88 KAT2B (0.49) KAT2BSMN1; SMN2EP300CREBBPKAT2A
SCHEMBL7099839 0.88 KAT2B (0.38) KAT2BNPC1RAB9ASMN1; SMN2EP300
SCHEMBL7096300 0.85 KAT2B (0.54) KAT2BNPC1RAB9ASMN1; SMN2GRM1

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