SCHEMBL6472382

SCHEMBL6472382

COc1cc(C(=O)C(=O)N(C)[C@@H](Cc2ccc(Cl)cc2)C(=O)N(CCC(CCc2ccncc2)c2ccncc2)Cc2ccccc2)cc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.39
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LPAR2 Q9HBW0 2/20 0.35
SLC2A1 P11166 3/20 0.35
AVPR1A P37288 2/20 0.35
AVPR1B P47901 1/20 0.35
MAPK1 P28482 1/20 0.34
FKBP1A P62942 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
SCHEMBL1492154 1.00 LPAR1 (0.39) LPAR1KMT2ALMNAHTTALDH1A1
SCHEMBL8780679 0.94 SLC2A1 (0.39) LPAR1KMT2ALMNAHTTALDH1A1
SCHEMBL8463579 0.89 MAPT (0.35) KMT2ALMNAALDH1A1MEN1MAPT
Timcodar SCHEMBL3673444 0.86 L3MBTL1 (0.37) LPAR1KMT2ALMNAHTTALDH1A1
Timcodar SCHEMBL1492143 0.86 L3MBTL1 (0.37) LPAR1KMT2ALMNAHTTALDH1A1
SCHEMBL6570451 0.86 L3MBTL1 (0.37) LPAR1KMT2ALMNAHTTALDH1A1
SCHEMBL6570448 0.86 L3MBTL1 (0.37) LPAR1KMT2ALMNAHTTALDH1A1
SCHEMBL6570407 0.85 LPAR1 (0.46) LPAR1LMNAHTTALDH1A1L3MBTL1
Timcodar SCHEMBL30929684 0.82 ALDH1A1 (0.36) LPAR1KMT2ALMNAHTTALDH1A1
SCHEMBL7181772 0.82 F10 (0.38) KMT2ALMNAALDH1A1MEN1MAPT

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
WO-2005007162-A1 COMPOUNDS AUGMENTING THE ACTIVITY OF ANTIBACTERIAL AGENTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-01-27 WO disclosed