SCHEMBL2778449

SCHEMBL2778449

CC(=O)Nc1ccc(S(=O)(=O)N(CC(C)C)[C@H]2CCCCN(C(=O)OC(C)(C)C)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NAMPT P43490 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37

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
SCHEMBL6258706 1.00 L3MBTL1 (0.43) L3MBTL1CYP2C19CYP2D6MEN1KMT2A
SCHEMBL760418 0.90 MEN1 (0.37) L3MBTL1MEN1KMT2ANAMPTABL1
SCHEMBL7744031 0.88 CCR5 (0.41) SMN1; SMN2ALDH1A1
SCHEMBL10128793 0.87 GPR119 (0.41) LMNAALDH1A1TSHR
SCHEMBL760419 0.85 GPR119 (0.36) LMNATGM2ALDH1A1TSHR
SCHEMBL8251763 0.76 PSEN1 (0.60)
SCHEMBL8051176 0.71 PSEN1 (0.40) L3MBTL1MEN1KMT2ATP53ALDH1A1
SCHEMBL265005 0.68 NAMPT (0.65) NAMPTMAPTABL1RIN1PTPN2
SCHEMBL13405090 0.66 PSEN1 (0.38) L3MBTL1MEN1KMT2ATP53PTPN1
SCHEMBL8054683 0.66 PSEN1 (0.38) L3MBTL1MEN1KMT2ATP53PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258680-B1 Aromatic derivatives as HIV aspartyl protease inhibitors TAIMED BIOLOG INC (TW) 2012-09-19 EP disclosed
EP-2258680-A2 Aromatic derivatives as HIV aspartyl protease inhibitors Ambrilia Biopharma Inc. (CA) 2010-12-08 EP disclosed
EP-2258681-A2 Aromatic Derivatives as HIV Aspartyl Protease Inhibitors Ambrilia Biopharma Inc. (CA) 2010-12-08 EP disclosed
US-6632816-B1 Aromatic derivatives as HIV aspartyl protease inhibitors PHARMACOR INC. (CA) 2003-10-14 US disclosed