SCHEMBL6692166

SCHEMBL6692166

C#CCOc1cc(Br)c(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
POLB P06746 3/20 0.39
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PRKDC P78527 1/20 0.34
PDE4B Q07343 1/20 0.34
CGAS Q8N884 1/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
KDM1A O60341 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MAOB P27338 3/20 0.32

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
SCHEMBL6596385 0.84 KDM4E (0.54) KMT2AMEN1POLBPDE3BPDE3A
SCHEMBL6596389 0.84 KDM4E (0.54) KMT2AMEN1POLBPDE3BPDE3A
SCHEMBL6597415 0.80 PDE3B (0.44) KMT2AMEN1PDE3BPDE3AALDH1A1
SCHEMBL6597409 0.80 PDE3B (0.44) KMT2AMEN1PDE3BPDE3AALDH1A1
SCHEMBL6661728 0.72 TNF (0.39) KMT2AMEN1POLBPDE3BPDE3A
SCHEMBL6664825 0.72 TNF (0.39) KMT2AMEN1POLBPDE3BPDE3A
SCHEMBL6589681 0.70 KDM4E (0.63) KMT2APDE3BPDE3AALDH1A1KDM4E
SCHEMBL6589679 0.70 KDM4E (0.63) KMT2APDE3BPDE3AALDH1A1KDM4E
SCHEMBL6593981 0.67 TNF (0.35) KMT2AMEN1PDE3BPDE3AALDH1A1
SCHEMBL6593976 0.67 TNF (0.35) KMT2AMEN1PDE3BPDE3AALDH1A1

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
WO-2004016271-A1 PYRIMIDONES AS ANTIVIRAL AGENTS AXXIMA PHARMACEUTICALS AG (DE) 2004-02-26 WO claimed
WO-2004016271-A1 PYRIMIDONES AS ANTIVIRAL AGENTS AXXIMA PHARMACEUTICALS AG (DE) 2004-02-26 WO disclosed