SCHEMBL20047032

SCHEMBL20047032

Cc1cc(I)cc(C)c1S(=O)(=O)N1CCc2cc(-c3cccc(F)c3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
AKR1C3 P42330 5/20 0.43
AKR1C1 Q04828 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
OPRK1 P41145 2/20 0.40
ESR2 Q92731 2/20 0.39
LMNA P02545 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
TP53 P04637 2/20 0.38
ESR1 P03372 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 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
SCHEMBL20047167 0.91 L3MBTL1 (0.50) KMT2AMEN1AKR1C3L3MBTL1OPRK1
SCHEMBL20047023 0.85 AKR1C3 (0.49) KMT2AMEN1AKR1C3AKR1C1L3MBTL1
SCHEMBL20047031 0.85 AKR1C3 (0.48) KMT2AMEN1AKR1C3AKR1C1L3MBTL1
SCHEMBL20047030 0.84 KMT2A (0.51) KMT2AMEN1AKR1C3AKR1C1L3MBTL1
SCHEMBL20047029 0.83 CYP11B1 (0.50) CYP11B1CYP11B2
SCHEMBL20047024 0.83 CHRM5 (0.41) KMT2AMEN1AKR1C3AKR1C1L3MBTL1
SCHEMBL20047027 0.82 PKM (0.51) KMT2AMEN1AKR1C3AKR1C1L3MBTL1
SCHEMBL20047020 0.82 MEN1 (0.40) KMT2AMEN1AKR1C3AKR1C1L3MBTL1
SCHEMBL20047019 0.81 MEN1 (0.40) KMT2AMEN1AKR1C3AKR1C1L3MBTL1
SCHEMBL22484651 0.81 L3MBTL1 (0.53) KMT2AMEN1AKR1C3L3MBTL1OPRK1

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-2017223514-A9 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2018-04-12 WO disclosed