SCHEMBL635676

SCHEMBL635676

Cc1cccc2cc3c(=O)n(CCN(C)CCCN(C)CCn4cc(C(=O)O)c5nc6c(C)cccc6cc5c4=O)cc(C(=O)O)c3nc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.37
CASP1 P29466 5/20 0.37
CASP7 P55210 5/20 0.37
HSD17B10 Q99714 4/20 0.37
MAPT P10636 4/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
ATM Q13315 4/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
PABPC1 P11940 1/20 0.35
MAPK1 P28482 1/20 0.35
MCL1 Q07820 2/20 0.34
BAD Q92934 2/20 0.34
CNR2 P34972 1/20 0.34
POLR1A O95602 1/20 0.34
LMNA P02545 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
SCHEMBL632020 0.92 CNR2 (0.39) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL21798701 0.87 POLR1A (0.41) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL634900 0.85 KDM4E (0.45) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL634012 0.85 KDM4E (0.40) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL635320 0.83 KMT2A (0.44) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL635605 0.82 TNF (0.52)
SCHEMBL634104 0.80 POLR1A (0.50) KDM4EHSD17B10HTTALDH1A1POLR1A
SCHEMBL30122318 0.79 KDM4E (0.41) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL634087 0.79 KDM4E (0.41) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL635404 0.79 PTGDR2 (0.39) KDM4ECASP1CASP7HSD17B10MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507778-B1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES UNIV TROBE (AU) 2012-02-22 EP disclosed