SCHEMBL7102679

SCHEMBL7102679

O=C(NC(=S)Nc1cccnc1)c1cccnc1Cl

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 8/20 0.57
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
CYP11B2 P19099 1/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL7097011 0.88 HTT (0.70) HTTKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL1499599 0.86 CYP11B2 (0.71) HTTKMT2AALDH1A1KDM4ENPC1
SCHEMBL7095414 0.84 HTT (0.73) HTTKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL7100225 0.82 HTT (0.70) HTTKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL7099136 0.82 HTT (0.70) HTTKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL7096937 0.82 HTT (0.73) HTTKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL14096398 0.79 RAB9A (0.70) HTTKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL14096631 0.78 CYP11B2 (0.53) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL2865777 0.78 HTT (0.55) HTTKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL14096372 0.77 NAMPT (0.72) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A

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