SCHEMBL7096937

SCHEMBL7096937

Cc1ccc(NC(=S)NC(=O)c2cccnc2Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.73
RAB9A P51151 6/20 0.62
NPC1 O15118 5/20 0.62
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
EGFR P00533 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
GAA P10253 1/20 0.52
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MAPT P10636 2/20 0.51
ALOX12 P18054 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CDK2 P24941 1/20 0.51

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
SCHEMBL7095414 0.90 HTT (0.73) HTTRAB9ANPC1MEN1KMT2A
SCHEMBL7097011 0.88 HTT (0.70) HTTRAB9ANPC1MEN1KMT2A
SCHEMBL7099136 0.87 HTT (0.70) HTTRAB9ANPC1MEN1KMT2A
SCHEMBL7100225 0.87 HTT (0.70) HTTRAB9ANPC1MEN1KMT2A
SCHEMBL14096398 0.86 RAB9A (0.70) HTTRAB9ANPC1MEN1KMT2A
SCHEMBL7102679 0.82 HTT (0.62) HTTRAB9ANPC1MEN1KMT2A
SCHEMBL14096252 0.81 HTT (0.61) HTTRAB9ANPC1MEN1KMT2A
SCHEMBL5448102 0.78 ALDH1A1 (0.68) HTTRAB9ANPC1MEN1KMT2A
SCHEMBL11553729 0.76 RAB9A (0.63) HTTRAB9ANPC1MEN1KMT2A
SCHEMBL2865777 0.76 HTT (0.55) HTTRAB9ANPC1MEN1KMT2A

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