SCHEMBL8604208

SCHEMBL8604208

S=c1cc[nH]c2c1ccc1ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PSMD14 O00487 1/20 0.46
CYP3A4 P08684 1/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
NCOA1 Q15788 2/20 0.38
NCOA3 Q9Y6Q9 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ERN1 O75460 1/20 0.36
ACVR1 Q04771 2/20 0.35
AXL P30530 1/20 0.35
NUDT1 P36639 1/20 0.35
CYP1A2 P05177 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
SCHEMBL2087722 0.79 MAPT (0.54) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL29852620 0.79 MAPT (0.54) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL8601135 0.77 PSMD14 (0.51) MAPTKDM4EPSMD14CYP3A4LMNA
SCHEMBL20653883 0.74 MAPT (0.52) MAPTKDM4EPSMD14CYP3A4LMNA
SCHEMBL7821404 0.71 MAPT (0.58) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL8624 0.71 CYP3A4 (0.49) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL8808071 0.71 KDM4E (0.52) KDM4EMEN1HTTKMT2AHIF1A
SCHEMBL1498128 0.71 MAPT (0.58) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL13166532 0.70 CYP3A4 (0.47) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL2926836 0.70 MAPT (0.89) MAPTKDM4ECYP3A4LMNAMEN1

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
US-5773449-A BACTERICIDES FOR HELICOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1998-06-30 US disclosed
EP-0786454-A1 THIOQUINOLONE DERIVATIVE ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1997-07-30 EP disclosed