SCHEMBL5547790

SCHEMBL5547790

Cn1c(=O)cnc2[c]cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
CA12 O43570 1/20 0.39
BRPF1 P55201 1/20 0.39
CA9 Q16790 1/20 0.39
KAT2B Q92831 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
KDM4E B2RXH2 5/20 0.36
NQO2 P16083 1/20 0.36
CYP1A2 P05177 5/20 0.34
TSHR P16473 3/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 7/20 0.33
HSD17B10 Q99714 5/20 0.33
GABRA5 P31644 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
SCHEMBL29580418 0.72 KDM4E (0.51) BRD4CA12BRPF1CA9KAT2B
SCHEMBL6390410 0.72 KDM4E (0.51) BRD4CA12BRPF1CA9KAT2B
SCHEMBL3282756 0.71 MAPT (0.39) BRD4CA12BRPF1CA9KAT2B
SCHEMBL7014694 0.70 KDM4E (0.42) KDM4ECYP1A2TSHRCYP2C19MEN1
SCHEMBL1451027 0.70 BRPF1 (0.50) BRD4CA12BRPF1CA9KAT2B
SCHEMBL1823973 0.69 GRM5 (0.34) KDM4ENQO2TSHRALDH1A1HSD17B10
SCHEMBL2013280 0.69 CLK4 (0.41) KDM4ECYP1A2ALDH1A1HSD17B10CLK4
SCHEMBL5995444 0.69 KDM4E (0.53) BRD4CA12BRPF1CA9KAT2B
SCHEMBL28584436 0.68 KDM4E (0.43) BRD4CA12BRPF1CA9KAT2B
SCHEMBL30049664 0.68 FGFR1 (0.40) BRD4CA12BRPF1CA9KAT2B

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-1780211-A2 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-05-02 EP disclosed
EP-1775295-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-04-18 EP disclosed