SCHEMBL528077

SCHEMBL528077

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.57
LMNA P02545 4/20 0.57
MAPT P10636 6/20 0.57
NPSR1 Q6W5P4 3/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 6/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
KCNH2 Q12809 1/20 0.52
GAA P10253 2/20 0.50
TP53 P04637 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
SCHEMBL528714 1.00 SMN1; SMN2 (0.57) SMN1; SMN2LMNAMAPTNPSR1HTT
SCHEMBL529360 0.91 LMNA (0.67) SMN1; SMN2LMNAMAPTNPSR1HTT
SCHEMBL528307 0.89 KMT2A (0.63) SMN1; SMN2LMNAMAPTNPSR1HTT
SCHEMBL528646 0.89 ALDH1A1 (0.59) SMN1; SMN2LMNAMAPTNPSR1HTT
SCHEMBL529287 0.89 KMT2A (0.64) SMN1; SMN2LMNAMAPTNPSR1HTT
SCHEMBL528058 0.89 MEN1 (0.67) SMN1; SMN2LMNAMAPTNPSR1HTT
SCHEMBL528820 0.89 MAPT (0.56) SMN1; SMN2LMNAMAPTNPSR1HTT
SCHEMBL528907 0.89 MAPT (0.64) SMN1; SMN2LMNAMAPTNPSR1HTT
SCHEMBL529413 0.88 KDM4E (0.56) SMN1; SMN2LMNAMAPTNPSR1HTT
SCHEMBL528855 0.88 MAPT (0.56) SMN1; SMN2LMNAMAPTNPSR1HTT

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