SCHEMBL528985

SCHEMBL528985

CCCS(=O)(=O)N(Cc1ccc(NC(=O)c2ccccc2F)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
TP53 P04637 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
F2R P25116 1/20 0.43
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL529397 0.95 MAPT (0.57) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL529730 0.88 MAPT (0.58) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL528349 0.86 RXFP1 (0.49) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL528340 0.86 FFAR1 (0.51) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL529051 0.86 MAPT (0.71) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL529592 0.86 MAPT (0.55) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL529438 0.85 MAPT (0.54) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL528292 0.84 TP53 (0.46) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL528672 0.83 SMO (0.46) MAPTSMN1; SMN2TP53KDM4EKMT2A
SCHEMBL528514 0.82 L3MBTL1 (0.49) MAPTSMN1; SMN2NPC1RAB9ATP53

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