SCHEMBL528098

SCHEMBL528098

Cc1ccc(N(Cc2cccc(C(=O)Nc3cc(F)ccc3C)c2)S(C)(=O)=O)cc1C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
ALDH1A1 P00352 6/20 0.56
HPGD P15428 4/20 0.56
KDM4E B2RXH2 3/20 0.56
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
GFER P55789 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 3/20 0.44
KCNH2 Q12809 1/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL529419 0.89 MAPT (0.61) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL528224 0.89 ALDH1A1 (0.56) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL529222 0.88 ALDH1A1 (0.53) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL529230 0.87 MAPT (0.49) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL528625 0.87 MAPT (0.54) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL527908 0.85 MAPT (0.61) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL528832 0.84 MAPT (0.53) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL528469 0.83 ALDH1A1 (0.57) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL529217 0.83 MEN1 (0.52) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL528258 0.83 MAPT (0.59) MAPTALDH1A1HPGDKDM4EHTT

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