SCHEMBL3239017

SCHEMBL3239017

O=C(Cc1ccccc1NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21)N1CCC(O)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.51
TP53 P04637 5/20 0.46
CCR3 P51677 2/20 0.41
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP51A1 Q16850 4/20 0.36
ATM Q13315 1/20 0.36
PYGL P06737 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3253003 0.95 MDM2 (0.50) MDM2TP53CCR3GAALMNA
SCHEMBL3247649 0.90 MDM2 (0.53) MDM2TP53CCR3GAALMNA
SCHEMBL3249183 0.87 MDM2 (0.50) MDM2TP53CCR3LMNAALDH1A1
SCHEMBL3239223 0.86 MDM2 (0.49) MDM2TP53ATMMEN1KMT2A
SCHEMBL3250920 0.79 MDM2 (0.62) MDM2TP53KMT2A
SCHEMBL1319899 0.78 MDM2 (0.53) MDM2TP53LMNAALDH1A1
SCHEMBL1322509 0.78 CYP51A1 (0.51) MDM2TP53CYP51A1PYGL
SCHEMBL1320737 0.78 MDM2 (0.49) MDM2TP53CYP51A1PYGL
SCHEMBL1320417 0.78 MDM2 (0.71) MDM2TP53SMN1; SMN2
SCHEMBL1321741 0.76 MDM2 (0.63) MDM2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066318-B1 OXINDOLE DERIVATIVES AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2010-05-12 EP claimed