SCHEMBL30901416

SCHEMBL30901416

Cc1ccc(S(=O)(=O)c2cccc(-c3ccccc3F)c2-c2ccccc2C(N)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GRM2 Q14416 1/20 0.39
HSD11B1 P28845 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PARP1 P09874 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.37
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
IKBKB O14920 1/20 0.37
KAT6A Q92794 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
SCHEMBL30901415 0.81 L3MBTL1 (0.44) HTR2AHTR2CKMT2AMEN1NPC1
SCHEMBL5331978 0.78 HTR2A (0.51) HTR2AHTR2CNPC1RAB9AL3MBTL1
SCHEMBL30901409 0.74 L3MBTL1 (0.40) KMT2AMEN1KEAP1NFE2L2PARP1
SCHEMBL28203099 0.72 BCAT2 (0.55) NPC1RAB9AKEAP1NFE2L2PARP1
SCHEMBL4735412 0.72 POLB (0.57) POLBHTR2AHTR2CKMT2AMEN1
SCHEMBL2113823 0.72 NPC1 (0.59) NPC1RAB9AGRM2KEAP1NFE2L2
SCHEMBL30901408 0.71 MEN1 (0.50) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL28784267 0.71 PARP1 (0.50) NPC1RAB9AGRM2KEAP1NFE2L2
SCHEMBL29524823 0.69 L3MBTL1 (0.42) POLBHTR2AHTR2CKMT2AMEN1
SCHEMBL27725563 0.69 KEAP1 (0.58) NPC1RAB9AKEAP1NFE2L2PARP1

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
CN-117820175-A Synthesis method of o-amino aryl sulfoxide compound 山东大学 2024-04-05 CN disclosed