SCHEMBL7096437

SCHEMBL7096437

Brc1cc(Br)c2c(c1)CCCN2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
PARP10 Q53GL7 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
PARP11 Q9NR21 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MPI P34949 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4870530 0.88 PARP10 (0.43) PRNPRXFP1MAPTPARP10TDP1
SCHEMBL10912290 0.81 MEN1 (0.39) CA12CA1CA2CA9KDM4E
SCHEMBL12525238 0.81 KDM4E (0.39) CA12CA1CA2CA9KDM4E
SCHEMBL31076300 0.81 KDM4E (0.32) KDM4EMAPTPARP10TDP1PARP11
SCHEMBL1536877 0.81 ALDH1A1 (0.36) CA12CA1CA2CA9KDM4E
SCHEMBL10911434 0.81 HTR1D (0.39) KDM4EMAPTPARP10TDP1PARP11
SCHEMBL10912284 0.81 HDAC4 (0.44) KDM4EMAPTPARP10TDP1PARP11
SCHEMBL4870174 0.78 PARP1 (0.40) CA12CA1CA2CA9KDM4E
SCHEMBL12525237 0.77 HTR2A (0.40) GAASRCPARP1
SCHEMBL17027011 0.77 AR (0.34) CA12CA1CA2CA9PARP10

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
EP-0878196-A1 KAINIC ACID NEURONOTOXICITY INHIBITORS AND PYRIDOTHIAZINE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-11-18 EP disclosed
EP-0173208-A1 Tetrahydroquinolin-1-yl-carbonyl-imidazole derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-03-05 EP disclosed