SCHEMBL7096458

SCHEMBL7096458

CCOC(=O)c1ccc(/N=c2\sc3ncccc3c(=O)n2Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
MAPK10 P53779 1/20 0.47
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 2/20 0.45
F2RL3 Q96RI0 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
HTT P42858 1/20 0.43
KAT2B Q92831 1/20 0.43

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
SCHEMBL7096459 1.00 MEN1 (0.50) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL7096508 0.88 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL7096507 0.88 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL7096656 0.86 KAT2B (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL7096657 0.86 KAT2B (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL7101446 0.85 KAT2B (0.54) MEN1KMT2ASMN1; SMN2RAB9AHPGD
SCHEMBL7101449 0.85 KAT2B (0.54) MEN1KMT2ASMN1; SMN2RAB9AHPGD
SCHEMBL7096970 0.84 MAPT (0.52) SMN1; SMN2MAPTNPC1RAB9ACYP1A2
SCHEMBL7096971 0.84 MAPT (0.52) SMN1; SMN2MAPTNPC1RAB9ACYP1A2
SCHEMBL7097105 0.84 MAPT (0.49) MEN1KMT2AMAPTRECQLALDH1A1

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