SCHEMBL528646

SCHEMBL528646

Cc1ccc(N(Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 4/20 0.57
MAPT P10636 7/20 0.57
NPSR1 Q6W5P4 3/20 0.57
HTT P42858 1/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
KCNH2 Q12809 1/20 0.52
GAA P10253 2/20 0.51

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
SCHEMBL529360 0.91 LMNA (0.67) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL528823 0.91 MAPT (0.53) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL529239 0.90 MAPT (0.55) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL528386 0.90 MAPT (0.53) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL528307 0.89 KMT2A (0.63) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL528077 0.89 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL528714 0.89 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL529287 0.89 KMT2A (0.64) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL528058 0.89 MEN1 (0.67) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL528754 0.89 MAPT (0.56) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1

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