SCHEMBL5801973

SCHEMBL5801973

COc1ccccc1-c1cc(-c2nc(CO)c[nH]2)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.44
S1PR1 P21453 3/20 0.42
KIT P10721 1/20 0.39
DHODH Q02127 2/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
MAPK14 Q16539 1/20 0.37
IDO1 P14902 1/20 0.37
ICMT O60725 1/20 0.37
XDH P47989 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37

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
SCHEMBL5803521 0.81 DHODH (0.43) HTR7S1PR1KITDHODHICMT
SCHEMBL5802708 0.80 ALOX5 (0.42) HTR7PDGFRBPDGFRA
SCHEMBL5804196 0.80 PDGFRB (0.44) HTR7S1PR1KITDHODHPDGFRB
SCHEMBL5806550 0.76 SMN1; SMN2 (0.40) S1PR1MAPK14
SCHEMBL7159559 0.75 ALDH1A1 (0.47) KITPDGFRBPDGFRA
SCHEMBL7159598 0.75 KMO (0.45) PDGFRBPDGFRA
SCHEMBL7161302 0.75 KMO (0.43) PDGFRBPDGFRA
SCHEMBL10355347 0.71 DCUN1D1 (0.49)
SCHEMBL6859787 0.71 AMY1A (0.49)
SCHEMBL11350778 0.71 HPGD (0.40) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723119-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
WO-2005087747-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed