SCHEMBL1724841

SCHEMBL1724841

COC(=O)c1cc(C(=O)c2ccc(N(C)c3ccc(Cl)cc3)cc2)cc([S+]([O-])c2ccc(F)c(F)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 9/20 0.38
MDM4 O15151 1/20 0.36
MDM2 Q00987 1/20 0.36
ATM Q13315 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 1/20 0.34
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL233510 0.89 LTC4S (0.43) LTC4S
SCHEMBL27850795 0.84 LTC4S (0.45) LTC4SHPGD
SCHEMBL232161 0.81 HPGD (0.42) LTC4SMDM4MDM2MEN1KMT2A
SCHEMBL232400 0.80 HPGD (0.46) LTC4SMDM4MDM2MEN1KMT2A
SCHEMBL232867 0.80 MAPT (0.42) LTC4SMDM4MDM2MEN1KMT2A
SCHEMBL27830993 0.78 LTC4S (0.59) LTC4S
SCHEMBL230032 0.77 MAPT (0.44) LTC4SMDM4MDM2ATMMEN1
SCHEMBL229900 0.77 TUBB4A (0.45) LTC4SMDM4MDM2MEN1KMT2A
SCHEMBL12040183 0.77 LTC4S (0.51) LTC4S
SCHEMBL232232 0.76 LMNA (0.50) LTC4SMEN1KMT2AMAPTHPGD

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-2406220-A1 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2012-01-18 EP disclosed
EP-2406223-A2 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2012-01-18 EP disclosed
WO-2010103279-A1 BIS AROMATIC COMPOUNDS FOR USE AS LCT4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2010-09-16 WO disclosed
WO-2010103297-A2 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2010-09-16 WO disclosed