SCHEMBL8796572

SCHEMBL8796572

CCCCC(CC)Cn1c(O)ccc(C#N)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 4/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
L3MBTL1 Q9Y468 5/20 0.41
TP53 P04637 2/20 0.40
LMNA P02545 3/20 0.36
CA2 P00918 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 2/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
XBP1 P17861 1/20 0.34
PPARG P37231 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34

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
SCHEMBL11637262 0.87 KDM4E (0.42) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL8604899 0.79 L3MBTL1 (0.47) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL4266313 0.78 KDM4E (0.48) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL8485321 0.76 KDM4E (0.44) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL8483548 0.76 KDM4E (0.44) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL11373378 0.75 KDM4E (0.49) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL8087890 0.75 KDM4E (0.59) ALDH1A1KDM4EHPGDMAPK1GAA
SCHEMBL11241059 0.73 BCL2L1 (0.37) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL30982940 0.73 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL11637890 0.71 KDM4E (0.59) ALDH1A1KDM4EHPGDMAPTMAPK1

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-0777704-A1 NAPHTHOLACTAM DYES BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996006137-A1 NAPHTHOLACTAM DYES BASF AKTIENGESELLSCHAFT (DE) 1996-02-29 WO disclosed