SCHEMBL22601140

SCHEMBL22601140

CN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.42
KMT2A Q03164 2/20 0.41
PTGER4 P35408 1/20 0.41
BCAT1 P54687 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
CLK1 P49759 1/20 0.39
PGR P06401 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FBP1 P09467 1/20 0.38

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
SCHEMBL22587970 0.92 KMT2A (0.43) KMT2APTGER4PGR
SCHEMBL22588194 0.92 PTGER4 (0.39) SLC16A3KMT2APTGER4BCAT1ALDH1A1
SCHEMBL22588250 0.90 FBP1 (0.39) SLC16A3KMT2ABCAT1ALDH1A1RAB9A
SCHEMBL22601129 0.90 KMT2A (0.48) SLC16A3KMT2APTGER4BCAT1ALDH1A1
SCHEMBL22587719 0.90 SLC16A3 (0.41) SLC16A3KMT2APTGER4BCAT1ALDH1A1
SCHEMBL22588190 0.89 MAPT (0.48) SLC16A3KMT2APTGER4ALDH1A1KDM4E
SCHEMBL22600971 0.89 RAB9A (0.42) SLC16A3KMT2APTGER4BCAT1ALDH1A1
SCHEMBL22587768 0.88 SLC16A3 (0.40) SLC16A3PTGER4
SCHEMBL24313630 0.87 HDAC6 (0.41) KMT2APTGER4BCAT1ALDH1A1KDM4E
SCHEMBL31723108 0.87 HDAC6 (0.41) KMT2APTGER4BCAT1ALDH1A1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3959202-B1 ACYL SULFONAMIDES FOR TREATING CANCER BAYER AG (DE) 2023-08-16 EP claimed
EP-3959202-B1 ACYL SULFONAMIDES FOR TREATING CANCER BAYER AG (DE) 2023-08-16 EP disclosed
EP-3959202-B1 ACYL SULFONAMIDES FOR TREATING CANCER BAYER AG (DE) 2023-08-16 EP disclosed
CN-114072394-A Acylsulfonamides for the treatment of cancer 拜耳股份公司 2022-02-18 CN disclosed
WO-2020216701-A1 ACYL SULFONAMIDES FOR TREATING CANCER BAYER AKTIENGESELLSCHAFT (DE) 2020-10-29 WO disclosed