SCHEMBL7096404

SCHEMBL7096404

CCCCn1c(=O)c2cccnc2s/c1=N\c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.47
MAPT P10636 4/20 0.45
HTT P42858 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MMP10 P09238 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LIPG Q9Y5X9 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL7096406 1.00 KAT2B (0.47) KAT2BMAPTHTTPDE4APDE4B
SCHEMBL7095432 0.94 KAT2B (0.49) KAT2BMAPTALDH1A1MMP10TDP1
SCHEMBL7095433 0.94 KAT2B (0.49) KAT2BMAPTALDH1A1MMP10TDP1
SCHEMBL7100771 0.89 KAT2B (0.51) KAT2BMAPTALDH1A1MMP10TDP1
SCHEMBL7100775 0.89 KAT2B (0.51) KAT2BMAPTALDH1A1MMP10TDP1
SCHEMBL7096515 0.89 MAPT (0.47) KAT2BMAPTHTTPDE4APDE4B
SCHEMBL7096516 0.89 MAPT (0.47) KAT2BMAPTHTTPDE4APDE4B
SCHEMBL7099625 0.88 MAPT (0.49) KAT2BMAPTHTTPDE4APDE4B
SCHEMBL7099626 0.88 MAPT (0.49) KAT2BMAPTHTTPDE4APDE4B
Hydrochloric Acid SCHEMBL7097432 0.86 KDM4E (0.47) KAT2BMAPTPDE4DALDH1A1MMP10

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