SCHEMBL7100388

SCHEMBL7100388

N#CCCCNc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HTT P42858 2/20 0.43
RHOC P08134 2/20 0.42
RHOA P61586 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.39
MCHR1 Q99705 1/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
NLRP3 Q96P20 1/20 0.36

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
SCHEMBL7096635 0.94 GAA (0.46) GAAALDH1A1HTTRHOCRHOA
SCHEMBL2705170 0.88 GAA (0.59) GAAALDH1A1HTTRHOCRHOA
SCHEMBL1844181 0.81 GAA (0.49) GAAALDH1A1HTTTHRBMAPT
SCHEMBL5551251 0.81 MAPT (0.59) GAAALDH1A1HTTMEN1KMT2A
SCHEMBL5506124 0.80 ALDH1A1 (0.64) GAAALDH1A1HTTTHRBMAPT
SCHEMBL5504318 0.80 GAA (0.46) GAAALDH1A1HTTTHRBMAPT
SCHEMBL31436007 0.79 HSD17B10 (0.44) GAAALDH1A1HTTMEN1KMT2A
SCHEMBL11252528 0.77 GAA (0.70) GAAALDH1A1HTTMEN1KMT2A
SCHEMBL9988787 0.77 GAA (0.81) GAAALDH1A1HTTMEN1KMT2A
SCHEMBL896530 0.77 GAA (0.44) GAAALDH1A1HTTTHRBMAPT

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