SCHEMBL6010495

SCHEMBL6010495

CC[C@H](C)[C@H](NCCNC(C(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccccc2n1C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
MDM2 Q00987 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MDM4 O15151 1/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
ELANE P08246 1/20 0.34

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
SCHEMBL5720459 0.85 MDM4 (0.37) HTTMDM2NPSR1MDM4TP53
SCHEMBL3801396 0.80 RECQL (0.38) MDM2RECQLKMT2A
SCHEMBL20550069 0.74 KMT2A (0.43) MDM4TP53KMT2A
SCHEMBL2438216 0.73 MAPT (0.37) RECQLKMT2A
SCHEMBL2438220 0.72 MAPT (0.36) MDM2RECQLMDM4TP53
SCHEMBL1564185 0.71 CASP3 (0.52) MDM2MDM4TP53KMT2A
SCHEMBL1486214 0.71 CASP3 (0.52) MDM2MDM4TP53KMT2A
SCHEMBL1486287 0.71 CASP3 (0.52) MDM2MDM4TP53KMT2A
SCHEMBL6038102 0.71 CASP3 (0.52) MDM2MDM4TP53KMT2A
SCHEMBL119497 0.71 CASP3 (0.52) MDM2MDM4TP53KMT2A

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-1697344-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2006-09-06 EP disclosed
WO-2005058841-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-06-30 WO disclosed