SCHEMBL7759328

SCHEMBL7759328

Cn1c(CO)ccc(C#N)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 5/20 0.47
GAA P10253 4/20 0.47
HPGD P15428 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.40
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
UPP1 Q16831 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
KDM5A P29375 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL11307956 0.77 KDM4E (0.53) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL11837334 0.77 KDM4E (0.46) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL11324346 0.77 L3MBTL1 (0.42) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL6653296 0.73 AR (0.46) AR
SCHEMBL23900598 0.73 KDM4E (0.53) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL5091327 0.68 L3MBTL1 (0.36) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL11373378 0.67 KDM4E (0.49) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL8087890 0.66 KDM4E (0.59) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL2746401 0.65 L3MBTL1 (0.43) KDM4EALDH1A1GAAHPGDKMT2A
SCHEMBL8604899 0.65 L3MBTL1 (0.47) KDM4EALDH1A1GAAHPGDKMT2A

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-1086180-A1 TRISAZO AND POLYAZO DYES AND THE MIXTURES THEREOF BASF AKTIENGESELLSCHAFT (DE) 2001-03-28 EP disclosed
WO-1999064520-A1 TRISAZO AND POLYAZO DYES AND THE MIXTURES THEREOF BASF AKTIENGESELLSCHAFT (DE) 1999-12-16 WO disclosed