SCHEMBL8520286

SCHEMBL8520286

O=c1[nH]c2ccccc2n1-c1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.54
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
AURKA O14965 4/20 0.49
KDM4E B2RXH2 1/20 0.49
DAO P14920 1/20 0.47
GABRP O00591 3/20 0.44
GABRD O14764 3/20 0.44
GABRA1 P14867 3/20 0.44
GABRB1 P18505 3/20 0.44
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRA5 P31644 3/20 0.44
GABRA3 P34903 3/20 0.44
GABRA2 P47869 3/20 0.44
GABRB2 P47870 3/20 0.44
GABRA4 P48169 3/20 0.44
GABRE P78334 3/20 0.44
GABRA6 Q16445 3/20 0.44
GABRG1 Q8N1C3 3/20 0.44

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
SCHEMBL17861173 0.80 ATM (0.45) MAPTKDM4ESIRT2SIRT1MEN1
SCHEMBL19924468 0.76 CA12 (0.41) LMNAMAPTKDM4ESIRT2SIRT1
SCHEMBL7010672 0.76 SIRT2 (0.48) LMNAMAPTKDM4ESIRT2SIRT1
SCHEMBL23119726 0.76 HSP90AA1 (0.56) HSP90AA1LMNAMAPTAURKAKDM4E
SCHEMBL7011009 0.75 SIRT2 (0.47) LMNAMAPTKDM4ESIRT2SIRT1
SCHEMBL22062844 0.75 HSP90AA1 (0.55) HSP90AA1LMNAMAPTAURKAKDM4E
SCHEMBL12610020 0.75 HSP90AA1 (0.55) HSP90AA1LMNAMAPTAURKAKDM4E
SCHEMBL9119078 0.75 HSP90AA1 (0.72) HSP90AA1LMNAMAPTAURKAKDM4E
SCHEMBL9119821 0.75 HSP90AA1 (0.55) HSP90AA1LMNAMAPTAURKAKDM4E
SCHEMBL29589834 0.75 HSP90AA1 (0.55) HSP90AA1LMNAMAPTAURKAKDM4E

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-0927192-A1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-07-07 EP claimed
WO-1998011128-A1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1998-03-19 WO claimed