SCHEMBL6197255

SCHEMBL6197255

BrCOc1cccc2ccncc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.47
TNF P01375 3/20 0.46
MAPT P10636 4/20 0.44
CACNA2D1 P54289 8/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL14251166 0.86 KCNA3 (0.61) KCNA3MAPTCACNA2D1MAPK1
SCHEMBL11713358 0.83 KCNA3 (0.47) KCNA3TNFMAPTCACNA2D1
SCHEMBL28985974 0.80 HTR1B (0.65) KCNA3TNFMAPTCACNA2D1
SCHEMBL14603570 0.80 TNF (0.56) KCNA3TNFMAPTCACNA2D1
SCHEMBL1759351 0.80 MCHR1 (0.51) KCNA3TNFMAPT
SCHEMBL21266927 0.79 IKBKB (0.50) KCNA3TNFMAPTMAPK1
SCHEMBL1660061 0.78 KCNA3 (0.56) KCNA3TNFMAPT
SCHEMBL7053152 0.77 HTR1B (0.60) KCNA3
SCHEMBL23544069 0.77 TNF (0.49) KCNA3TNFMAPTCACNA2D1
SCHEMBL1491286 0.77 MAPT (0.56) TNFMAPTCACNA2D1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583537-A3 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
EP-1583537-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-10-12 EP disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed