SCHEMBL20120050

SCHEMBL20120050

Cc1ccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc(C(F)(F)F)cc3)n2)s1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.51
MAPT P10636 7/20 0.46
POLB P06746 3/20 0.43
LMNA P02545 3/20 0.43
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AHR P35869 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
EPHX2 P34913 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL20120159 0.90 TP53 (0.49) TP53MAPTPOLBLMNATHRB
SCHEMBL20120048 0.87 TP53 (0.53) TP53MAPTPOLBLMNATHRB
SCHEMBL20120131 0.86 TP53 (0.50) TP53MAPTPOLBLMNAAHR
SCHEMBL20113811 0.86 TP53 (0.64) TP53MAPTPOLBLMNATHRB
SCHEMBL20120053 0.83 TP53 (0.47) TP53MAPTPOLBLMNATHRB
SCHEMBL20113814 0.83 TP53 (0.73) TP53MAPTPOLBLMNATHRB
SCHEMBL20120157 0.82 MAPT (0.47) TP53MAPTPOLBLMNA
SCHEMBL20120057 0.82 TP53 (0.54) TP53MAPTPOLBLMNATHRB
SCHEMBL20120155 0.81 TP53 (0.47) TP53MAPTPOLBLMNATHRB
SCHEMBL20114216 0.81 TP53 (0.59) TP53MAPTPOLBLMNATHRB

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-2018081378-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2018-05-03 WO disclosed