SCHEMBL7099737

SCHEMBL7099737

C=CCn1c(=O)c2cccnc2s/c1=N\c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.44
MAPT P10636 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 5/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
IDE P14735 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KCNH2 Q12809 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7099738 1.00 KAT2B (0.44) KAT2BMAPTNPC1RAB9AKMT2A
SCHEMBL7099346 0.90 KAT2B (0.41) KAT2BMAPTKMT2AMAPK1NPSR1
SCHEMBL7099344 0.90 KAT2B (0.41) KAT2BMAPTKMT2AMAPK1NPSR1
SCHEMBL7096054 0.89 KAT2B (0.47) KAT2BMAPTNPC1RAB9AKMT2A
SCHEMBL7096052 0.89 KAT2B (0.47) KAT2BMAPTNPC1RAB9AKMT2A
SCHEMBL7099940 0.86 KAT2B (0.47) KAT2BMAPTNPC1RAB9AKMT2A
SCHEMBL7099943 0.86 KAT2B (0.47) KAT2BMAPTNPC1RAB9AKMT2A
SCHEMBL7099355 0.84 KAT2B (0.46) KAT2BMAPTNPC1RAB9AKMT2A
SCHEMBL7099357 0.84 KAT2B (0.46) KAT2BMAPTNPC1RAB9AKMT2A
SCHEMBL7096515 0.83 MAPT (0.47) KAT2BMAPTNPC1RAB9AKMT2A

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