SCHEMBL4600765

SCHEMBL4600765

CCCCCOc1ccn(Cc2ccc(Cl)cc2Cl)c(=O)c1.CCOC(=O)COc1ccn(Cc2ccc(Cl)cc2Cl)c(=O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MCL1 Q07820 1/20 0.45
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2174737 0.93 LMNA (0.46) ALDH1A1TDP1L3MBTL1MCL1LMNA
SCHEMBL2178830 0.89 MAPK14 (0.42) LMNASMN1; SMN2MAPK1
SCHEMBL2175907 0.88 MAPK14 (0.41) LMNASMN1; SMN2MAPK1
SCHEMBL2177627 0.88 MAPK14 (0.41) LMNASMN1; SMN2MAPK1
SCHEMBL2177043 0.88 MAPK14 (0.41) LMNASMN1; SMN2MAPK1
SCHEMBL2175595 0.86 MAPK14 (0.43) ALDH1A1TDP1L3MBTL1LMNASMN1; SMN2
SCHEMBL2177234 0.82 MAPK14 (0.44) LMNASMN1; SMN2
SCHEMBL2177106 0.81 MAPK14 (0.43) ALDH1A1L3MBTL1
SCHEMBL2174902 0.81 LMNA (0.42) ALDH1A1LMNASMN1; SMN2
SCHEMBL2175151 0.80 LMNA (0.42) ALDH1A1LMNASMN1; SMN2

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-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP claimed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 WO claimed