SCHEMBL529438

SCHEMBL529438

Cc1ccc(N(Cc2ccc(NC(=O)c3ccccc3F)cc2)S(=O)(=O)C2CC2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
TP53 P04637 4/20 0.50
LMNA P02545 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL529730 0.88 MAPT (0.58) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL528274 0.88 L3MBTL1 (0.47) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL529397 0.87 MAPT (0.57) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL528572 0.87 RXFP1 (0.48) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL529051 0.86 MAPT (0.71) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL529592 0.86 MAPT (0.55) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL528985 0.85 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL528272 0.83 MAPT (0.45) MAPTSMN1; SMN2TP53LMNAMEN1
SCHEMBL528053 0.82 MAPT (0.55) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL527903 0.79 MAPT (0.52) 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