SCHEMBL4732912

SCHEMBL4732912

CC(NC(=O)C=Cc1cccc(C(F)(F)F)c1)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 1/20 0.53
HSP90AA1 P07900 1/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HTT P42858 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
THRB P10828 1/20 0.52
MAOB P27338 2/20 0.49
ADRA2C P18825 2/20 0.48
SLC6A2 P23975 2/20 0.48
HTR2C P28335 2/20 0.48
SLC6A4 P31645 2/20 0.48
OPRM1 P35372 2/20 0.48
DRD3 P35462 2/20 0.48
CASR P41180 2/20 0.48
MLNR O43193 1/20 0.48

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
SCHEMBL1329587 1.00 KDM4E (0.54) KDM4EMEN1KMT2ALMNAHSP90AA1
SCHEMBL4732908 1.00 KDM4E (0.54) KDM4EMEN1KMT2ALMNAHSP90AA1
SCHEMBL8468918 1.00 KDM4E (0.54) KDM4EMEN1KMT2ALMNAHSP90AA1
SCHEMBL1329590 1.00 KDM4E (0.54) KDM4EMEN1KMT2ALMNAHSP90AA1
SCHEMBL6813373 1.00 KDM4E (0.54) KDM4EMEN1KMT2ALMNAHSP90AA1
SCHEMBL6752550 0.84 TDP1 (0.50) LMNAMAOBTDP1
SCHEMBL13855361 0.80 MEN1 (0.51) KDM4EMEN1KMT2ALMNAHSP90AA1
SCHEMBL1504899 0.80 MEN1 (0.48) KDM4EMEN1KMT2ALMNAHSP90AA1
Fumaric Acid SCHEMBL1504896 0.80 CASR (0.51) KDM4EMEN1KMT2ALMNAHSP90AA1
Fumaric Acid SCHEMBL1504902 0.80 CASR (0.51) KDM4EMEN1KMT2ALMNAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008058235-A2 PROCESSES FOR THE PREPARATION OF CINACALCET DR. REDDY'S LABORATORIES, LTD. (IN) 2008-05-15 WO disclosed
WO-2008058236-A2 METHODS FOR PREPARING CINACALCET HYDROCHLORIDE DR. REDDY'S LABORTORIES, LTD. (IN) 2008-05-15 WO disclosed
WO-2008035381-A2 PROCESS FOR THE PREPARATION OF AMINE DERIVATIVES AS CALCIMIMETICS IND-SWIFT LABORATORIES LIMITED (IN) 2008-03-27 WO disclosed