SCHEMBL529592

SCHEMBL529592

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 5/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPRC P08575 2/20 0.43
CTSL P07711 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL528331 0.91 FFAR1 (0.49) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL527865 0.89 SMO (0.47) MAPTSMN1; SMN2LMNATP53MEN1
SCHEMBL529730 0.89 MAPT (0.58) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL527888 0.89 MAPT (0.45) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL529397 0.88 MAPT (0.57) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL528660 0.87 L3MBTL1 (0.48) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL529051 0.86 MAPT (0.71) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL528124 0.86 KMT2A (0.53) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL528251 0.86 MAPT (0.41) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL528985 0.86 MAPT (0.54) MAPTRAB9ASMN1; SMN2NPC1LMNA

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