SCHEMBL5197840

SCHEMBL5197840

C#CCn1c(-c2c(Cl)cccc2Cl)nc(-c2ccncc2)c1-c1ccc(Cl)cc1.O=C(C(=NO)c1ccncc1)c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.37
NPSR1 Q6W5P4 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
LSS P48449 1/20 0.32
LMNA P02545 2/20 0.32
PTBP1 P26599 2/20 0.32
MAOA P21397 1/20 0.32
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
IDO1 P14902 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PSD A5PKW4 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5197836 1.00 MAOB (0.37) MAOBNPSR1SMN1; SMN2MAPTLSS
SCHEMBL5199112 0.85 NPSR1 (0.43) MAOBNPSR1SMN1; SMN2MAPTLSS
SCHEMBL5197704 0.77 KMT2A (0.48) NPSR1MAPTMEN1KMT2A
SCHEMBL5197710 0.77 KMT2A (0.48) NPSR1MAPTMEN1KMT2A
SCHEMBL5199263 0.74 NPC1 (0.37) NPSR1SMN1; SMN2MAPTMGAMGAA
SCHEMBL5199254 0.74 NPC1 (0.37) NPSR1SMN1; SMN2MAPTMGAMGAA
SCHEMBL5196158 0.74 LSS (0.34) NPSR1LSSMAPK11MAPK14MAPK1
SCHEMBL5194034 0.73 TEK (0.42) NPSR1LMNAEGFRIDO1PSD
SCHEMBL5200281 0.72 LSS (0.33) NPSR1LSSMAPK11MAPK14MAPK1
SCHEMBL5196925 0.72 MAPK14 (0.49) IDO1MAPK11MAPK14

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-1846389-A1 IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-24 EP disclosed
WO-2006082002-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed