SCHEMBL7095433

SCHEMBL7095433

CCCn1c(=Nc2ccc(OC)cc2)sc2ncccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.49
MMP10 P09238 2/20 0.42
LIPG Q9Y5X9 2/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPK1 P28482 1/20 0.39
OPRK1 P41145 1/20 0.39
ATM Q13315 1/20 0.39
PKM P14618 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 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
SCHEMBL7095432 1.00 KAT2B (0.49) KAT2BMMP10LIPGMAPTSMN1; SMN2
SCHEMBL7096404 0.94 KAT2B (0.47) KAT2BMMP10LIPGMAPTSMN1; SMN2
SCHEMBL7096406 0.94 KAT2B (0.47) KAT2BMMP10LIPGMAPTSMN1; SMN2
SCHEMBL7100771 0.91 KAT2B (0.51) KAT2BMMP10LIPGMAPTSMN1; SMN2
SCHEMBL7100775 0.91 KAT2B (0.51) KAT2BMMP10LIPGMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7097432 0.88 KDM4E (0.47) KAT2BMMP10LIPGMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7096530 0.88 KDM4E (0.47) KAT2BMMP10LIPGMAPTSMN1; SMN2
SCHEMBL7099357 0.88 KAT2B (0.46) KAT2BLIPGMAPTSMN1; SMN2RAB9A
SCHEMBL7099355 0.88 KAT2B (0.46) KAT2BLIPGMAPTSMN1; SMN2RAB9A
SCHEMBL7102653 0.88 KAT2B (0.41) KAT2BLIPGMAPTSMN1; SMN2NPSR1

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