SCHEMBL4756404

SCHEMBL4756404

CCc1cc(CBr)cc(CC#N)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2A6 P11509 1/20 0.34
MMP3 P08254 1/20 0.33
PTGS2 P35354 1/20 0.33
ENPP2 Q13822 1/20 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
SCHEMBL28387994 0.89 KDM4E (0.43) KDM4ETDP1MMP3ENPP2
SCHEMBL5201126 0.89 KDM4E (0.43) KDM4ETDP1CYP2A6MMP3PTGS2
SCHEMBL10069585 0.82 PTGS2 (0.44) CYP2A6PTGS2
SCHEMBL18640647 0.82 PTGS2 (0.44) CYP2A6PTGS2
SCHEMBL12883530 0.81 KDM4E (0.38) KDM4ETDP1CYP2A6MMP3PTGS2
SCHEMBL14723952 0.79 PTGS2 (0.33) PTGS2
SCHEMBL4007007 0.76 KDM4E (0.52) KDM4ETDP1MMP3ENPP2
SCHEMBL21300469 0.76 ALDH1A1 (0.35) KDM4ETDP1CYP2A6MMP3ENPP2
SCHEMBL25370593 0.75 KDM4E (0.34) KDM4ETDP1CYP2A6MMP3
SCHEMBL25371047 0.75 KDM4E (0.34) KDM4ETDP1CYP2A6MMP3

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-1994014-A1 IMPROVED PROCESS FOR HIGH PURITY ANASTROZOLE Shilpa Medicare Limited (IN) 2008-11-26 EP disclosed
WO-2007105231-A1 IMPROVED PROCESS FOR HIGH PURITY ANASTROZOLE SHILPA MEDICARE LTD. (IN) 2007-09-20 WO disclosed