SCHEMBL528647

SCHEMBL528647

Cc1ccc(N(Cc2ccc(C(=O)O)cc2)S(C)(=O)=O)cc1C

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
KCNH2 Q12809 1/20 0.62
ALDH1A1 P00352 5/20 0.58
LMNA P02545 2/20 0.54
MAPT P10636 5/20 0.53
HTT P42858 1/20 0.53
HPGD P15428 2/20 0.51
KDM4E B2RXH2 2/20 0.51
PTGES O14684 2/20 0.49
ALOX5 P09917 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
NR1H4 Q96RI1 1/20 0.47

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
SCHEMBL528691 0.86 SMN1; SMN2 (0.51) SMN1; SMN2KCNH2ALDH1A1LMNAMAPT
SCHEMBL528058 0.83 MEN1 (0.67) SMN1; SMN2KCNH2ALDH1A1LMNAMAPT
SCHEMBL529360 0.83 LMNA (0.67) SMN1; SMN2KCNH2ALDH1A1LMNAMAPT
SCHEMBL29873731 0.82 SMN1; SMN2 (0.54) SMN1; SMN2KCNH2ALDH1A1LMNAMAPT
SCHEMBL3456193 0.81 SMN1; SMN2 (0.77) SMN1; SMN2KCNH2ALDH1A1LMNAMAPT
SCHEMBL529287 0.81 KMT2A (0.64) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL528449 0.80 ALDH1A1 (0.67) SMN1; SMN2KCNH2ALDH1A1LMNAMAPT
SCHEMBL528383 0.80 NPSR1 (0.65) SMN1; SMN2KCNH2ALDH1A1LMNAMAPT
SCHEMBL528077 0.79 SMN1; SMN2 (0.57) SMN1; SMN2KCNH2ALDH1A1LMNAMAPT
SCHEMBL528714 0.79 SMN1; SMN2 (0.57) SMN1; SMN2KCNH2ALDH1A1LMNAMAPT

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