SCHEMBL8239556

SCHEMBL8239556

CCOc1cc(Cl)c(S(=O)(=O)NC(C)(C)C)cc1/C(=N/C(C)(C)c1ccc(Cl)cc1)NCc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 2/20 0.39
MDM2 Q00987 1/20 0.38
HDAC1 Q13547 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPC1 O15118 1/20 0.35
GALR3 O60755 1/20 0.35
LMNA P02545 1/20 0.35
NR2F2 P24468 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL13594359 0.82 TSHR (0.46) KDM4EPOLBMEN1KMT2ATDP1
SCHEMBL13031078 0.81 POLB (0.36) KDM4EALDH1A1HPGDPOLBMDM2
SCHEMBL8236930 0.80 MEN1 (0.44) POLBMDM2HDAC1MEN1KMT2A
SCHEMBL13594531 0.78 MEN1 (0.38) KDM4EPOLBMDM2HDAC1MEN1
SCHEMBL1546540 0.73 ATM (0.46) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL1546453 0.72 POLB (0.42) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL8239920 0.72 MDM2 (0.34) MDM2HDAC1KMT2A
SCHEMBL4001211 0.72 CA1 (0.45) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL13029673 0.71 L3MBTL1 (0.33) KDM4EALDH1A1HPGDPOLBMDM2
SCHEMBL13029762 0.69 TSHR (0.44) KDM4EALDH1A1POLBMEN1KMT2A

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-2130822-A1 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between p53 and mdm2 proteins for use as anticancer agents F. Hoffmann-La Roche AG (CH) 2009-12-09 EP disclosed
WO-2007063013-A1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed