SCHEMBL7096050

SCHEMBL7096050

CCOC(=O)c1ccc(N(C)c2nc(=O)c3cccnc3s2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.63
RAB9A P51151 6/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MAPT P10636 3/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
HPGD P15428 1/20 0.63
CYP2C19 P33261 1/20 0.63
ALDH1A1 P00352 4/20 0.56
POLB P06746 2/20 0.55
KMT2A Q03164 1/20 0.55
RXFP1 Q9HBX9 2/20 0.44
KDM4E B2RXH2 2/20 0.41
MAOB P27338 1/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
MPI P34949 1/20 0.39
EP300 Q09472 1/20 0.39
PHOSPHO1 Q8TCT1 1/20 0.39
KAT2A Q92830 1/20 0.39

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
SCHEMBL7095985 0.87 KMT2A (0.76) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL27486180 0.87 KMT2A (0.53) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL7096719 0.85 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL7099828 0.84 ALDH1A1 (0.64) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL27485844 0.83 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL7096935 0.81 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL27561806 0.81 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL7099745 0.80 ALDH1A1 (0.70) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL7101168 0.80 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2950248 0.79 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2MAPTHPGD

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 4 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
CN-1202109-A Kainic acid neuronotoxicity inhibitors and pyridothioazine derivatives YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 CN disclosed
EP-0878196-A1 KAINIC ACID NEURONOTOXICITY INHIBITORS AND PYRIDOTHIAZINE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-11-18 EP disclosed