SCHEMBL527903

SCHEMBL527903

Cc1ccc(N(Cc2ccc(NC(=O)c3ccccc3F)cc2)S(=O)(=O)c2cn(C)cn2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.41
OXTR P30559 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39

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
SCHEMBL528384 0.89 OXTR (0.44) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL528851 0.88 RXFP1 (0.46) MAPTRAB9ATP53KMT2AMEN1
SCHEMBL528697 0.84 MAPT (0.42) MAPTSMN1; SMN2LMNATP53KMT2A
SCHEMBL528332 0.83 ALDH1A1 (0.51) MAPTSMN1; SMN2NPC1LMNATP53
SCHEMBL529051 0.83 MAPT (0.71) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL529730 0.82 MAPT (0.58) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL529397 0.81 MAPT (0.57) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL529592 0.80 MAPT (0.55) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL529438 0.79 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL528985 0.79 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9ALMNA

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