SCHEMBL23052182

SCHEMBL23052182

CC(C)c1cc(C(C)C)c(S(=O)(=O)NCc2ccccc2)c(C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.50
CA12 O43570 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ATM Q13315 1/20 0.48
CA9 Q16790 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NR3C1 P04150 1/20 0.46
FABP3 P05413 1/20 0.46
FABP4 P15090 1/20 0.46
FABP5 Q01469 1/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.44
CA1 P00915 1/20 0.44
SMN1; SMN2 Q16637 2/20 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
SCHEMBL13889001 0.86 SMN1; SMN2 (0.58) L3MBTL1ALDH1A1TDP1GAASMN1; SMN2
SCHEMBL17611091 0.79 TPSAB1 (0.50) L3MBTL1ALDH1A1TDP1GAASMN1; SMN2
SCHEMBL15773800 0.79 NR1H2 (0.46) NR3C1TDP1F10
SCHEMBL13797634 0.78 NPY5R (0.48) NR3C1ALDH1A1LMNA
SCHEMBL5188624 0.77 HDAC1 (0.59) KEAP1CA12CA9NR3C1FABP3
SCHEMBL17611095 0.77 ALDH1A1 (0.52) L3MBTL1ALDH1A1GAASMN1; SMN2LMNA
SCHEMBL3830399 0.76 F10 (0.51) NR3C1ALDH1A1SMN1; SMN2HTTF10
SCHEMBL13964840 0.76 F10 (0.51) NR3C1ALDH1A1SMN1; SMN2HTTF10
SCHEMBL21923051 0.76 FABP4 (0.49) NR3C1FABP3FABP4FABP5ALDH1A1
SCHEMBL23045698 0.76 NR3C1 (0.51) NR3C1FABP3FABP4FABP5TDP1

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-2021039824-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR 国立大学法人 岡山大学 2021-03-04 WO disclosed