SCHEMBL529230

SCHEMBL529230

Cc1ccc(F)c(NC(=O)c2cccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
GFER P55789 1/20 0.43
LMNA P02545 4/20 0.43
LCLAT1 Q6UWP7 1/20 0.42
POLB P06746 1/20 0.42
KCNH2 Q12809 1/20 0.42
RAB9A P51151 1/20 0.41

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
SCHEMBL529222 0.90 ALDH1A1 (0.53) MAPTNPSR1ALDH1A1KDM4EHPGD
SCHEMBL529586 0.89 MAPT (0.59) MAPTNPSR1ALDH1A1KDM4EHPGD
SCHEMBL528488 0.87 MAPT (0.64) MAPTNPSR1ALDH1A1KDM4EHPGD
SCHEMBL528098 0.87 MAPT (0.56) MAPTNPSR1ALDH1A1KDM4EHPGD
SCHEMBL528224 0.85 ALDH1A1 (0.56) MAPTNPSR1ALDH1A1KDM4EHPGD
SCHEMBL528832 0.83 MAPT (0.53) MAPTNPSR1ALDH1A1KDM4EHPGD
SCHEMBL528469 0.82 ALDH1A1 (0.57) MAPTNPSR1ALDH1A1KDM4EHPGD
SCHEMBL528258 0.82 MAPT (0.59) MAPTNPSR1ALDH1A1KDM4EHPGD
SCHEMBL528625 0.81 MAPT (0.54) MAPTNPSR1ALDH1A1KDM4EHPGD
SCHEMBL527908 0.81 MAPT (0.61) MAPTALDH1A1KDM4EHPGDHTT

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