SCHEMBL529121

SCHEMBL529121

Cc1ccc(N(Cc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
MAPT P10636 5/20 0.64
KDM4E B2RXH2 3/20 0.64
HPGD P15428 2/20 0.64
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 1/20 0.57
LMNA P02545 3/20 0.56
NPSR1 Q6W5P4 3/20 0.52
PLA2G1B P04054 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2C19 P33261 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CNR2 P34972 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL528449 0.88 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL529111 0.87 MAPT (0.64) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL528208 0.87 ALDH1A1 (0.64) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL528799 0.86 MAPT (0.59) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL528645 0.84 ALDH1A1 (0.64) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL529488 0.84 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL528670 0.84 MAPT (0.61) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL528854 0.84 MAPT (0.56) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL528988 0.83 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL527892 0.83 MAPT (0.73) ALDH1A1MAPTKDM4EHPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed