SCHEMBL529051

SCHEMBL529051

Cc1ccc(N(Cc2ccc(NC(=O)c3ccccc3F)cc2)S(=O)(=O)c2ccccc2)cc1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.71
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NR3C1 P04150 2/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL528702 0.91 MAPT (0.58) MAPTLMNASMN1; SMN2GAAHTT
SCHEMBL529297 0.91 MAPT (0.59) MAPTLMNASMN1; SMN2TP53GAA
SCHEMBL529730 0.89 MAPT (0.58) MAPTLMNASMN1; SMN2NPC1TP53
SCHEMBL529639 0.89 MAPT (0.55) MAPTLMNASMN1; SMN2GAAMEN1
SCHEMBL529397 0.88 MAPT (0.57) MAPTLMNASMN1; SMN2NPC1TP53
SCHEMBL529003 0.87 MAPT (0.66) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL529284 0.87 ALDH1A1 (0.56) MAPTLMNASMN1; SMN2GAAKMT2A
SCHEMBL528265 0.87 ALDH1A1 (0.54) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL531055 0.86 MAPT (0.71) MAPTLMNASMN1; SMN2GAAHTT
SCHEMBL529592 0.86 MAPT (0.55) MAPTLMNASMN1; SMN2NPC1TP53

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