SCHEMBL528691

SCHEMBL528691

Cc1ccc(N(Cc2cccc(C(=O)O)c2)S(C)(=O)=O)cc1C

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
KCNH2 Q12809 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
RECQL P46063 1/20 0.47
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL528647 0.86 SMN1; SMN2 (0.62) SMN1; SMN2KCNH2MEN1KMT2AALDH1A1
SCHEMBL528112 0.83 KMT2A (0.70) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL528224 0.82 ALDH1A1 (0.56) SMN1; SMN2KCNH2MEN1KMT2AALDH1A1
SCHEMBL3377815 0.81 PTGES (0.52) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL528832 0.80 MAPT (0.53) SMN1; SMN2KCNH2MEN1KMT2AALDH1A1
SCHEMBL529222 0.80 ALDH1A1 (0.53) SMN1; SMN2KCNH2MEN1KMT2AALDH1A1
SCHEMBL528098 0.80 MAPT (0.56) SMN1; SMN2KCNH2MEN1KMT2AALDH1A1
SCHEMBL528469 0.79 ALDH1A1 (0.57) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL528625 0.78 MAPT (0.54) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL529230 0.78 MAPT (0.49) SMN1; SMN2KCNH2MEN1KMT2AALDH1A1

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