SCHEMBL6675172

SCHEMBL6675172

O=c1[nH]cc(-c2ccccn2)cc1-c1ccccc1-c1cccc(O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.47
PARP1 P09874 1/20 0.39
TGFBR1 P36897 1/20 0.37
PDK2 Q15119 1/20 0.36
PRMT5 O14744 2/20 0.36
PDK1 Q15118 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
COMT P21964 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
PAX8 Q06710 1/20 0.36
TNKS2 Q9H2K2 1/20 0.35

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
SCHEMBL2782805 0.82 CDC7 (0.48) TNKSDAO
SCHEMBL15758398 0.78 GRIA1 (0.57) TNKSPRMT5WDR77ALDH1A1KDM4E
SCHEMBL16456296 0.76 TNKS (0.55) TNKSTGFBR1PRMT5WDR77NPC1
SCHEMBL687843 0.76 GRIA1 (0.58) TNKSPRMT5WDR77ALDH1A1KDM4E
SCHEMBL16455996 0.73 TNKS (0.53) TNKSPDK2PRMT5WDR77NPC1
SCHEMBL1882316 0.73 AURKA (0.50) TNKSPARP1TGFBR1PRMT5WDR77
SCHEMBL6675174 0.72 HTT (0.39) TNKSPARP1TGFBR1SMN1; SMN2NPC1
SCHEMBL1888457 0.71 PRMT5 (0.43) TNKSPRMT5PDK1WDR77COMT
SCHEMBL10819097 0.71 TTK (0.60) TNKSPRMT5WDR77SMN1; SMN2NPC1
SCHEMBL13376040 0.71 PRMT5 (0.43) TNKSPRMT5PDK1WDR77COMT

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-1465626-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES Eisai Co., Ltd. (JP) 2004-10-13 EP disclosed
WO-2003047577-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES EISAI CO LTD (JP) 2003-06-12 WO disclosed