SCHEMBL4599182

SCHEMBL4599182

Brc1cc[c]c(NCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
APP P05067 4/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE5A O76074 2/20 0.39
HSD17B10 Q99714 1/20 0.37
HCAR2 Q8TDS4 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
SCHEMBL4599300 0.83 CCNC (0.45) SMN1; SMN2LMNAAPPKMT2A
SCHEMBL4599375 0.80 MAPT (0.55) HTTSMN1; SMN2LMNAKMT2A
SCHEMBL4603282 0.79 PKM (0.42) SMN1; SMN2LMNAAPPHPGDKMT2A
SCHEMBL4599833 0.79 LMNA (0.45) HTTSMN1; SMN2LMNAAPPKMT2A
SCHEMBL693665 0.76 HSD17B10 (0.47) HTTAPPHPGDKMT2AHSD17B10
SCHEMBL3285826 0.76 APP (0.44) HTTLMNAAPPHPGDKMT2A
SCHEMBL3456084 0.74 BCHE (0.53) SMN1; SMN2KMT2A
SCHEMBL4598926 0.74 GABRA1 (0.34) GABRG2GABRB3GABRA5GABRA3
SCHEMBL27894278 0.74 HTT (0.42) HTTSMN1; SMN2LMNAAPPHPGD
SCHEMBL8169762 0.73 PRSS1 (0.46)

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-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed