SCHEMBL30366504

SCHEMBL30366504

Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.Nc1c(N2CCOCC2)nc(Br)c[n+]1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ MAPT P10636 3/20 0.39
▸ ABL1 P00519 2/20 0.38
▸ BCR P11274 2/20 0.38
▸ PIK3CA P42336 3/20 0.35
▸ CRHR1 P34998 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KHK P50053 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33

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
SCHEMBL14725932 0.82 KDM4E (0.41) MAPTABL1BCRPIK3CAMAPK1
SCHEMBL21630876 0.78 RAPGEF4 (0.33) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL31038514 0.76 HPGD (0.35) KMT2AMEN1MAPK1HPGD
SCHEMBL30507693 0.73 SMN1; SMN2 (0.38) L3MBTL1MAPTKMT2AMEN1MAPK1
SCHEMBL3199564 0.71 RAPGEF4 (0.38) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL27225358 0.69 RAPGEF4 (0.36) L3MBTL1MAPTKMT2AMEN1MAPK1
SCHEMBL28628697 0.68 RAPGEF4 (0.35) L3MBTL1MAPTKMT2AMEN1MAPK1
SCHEMBL28587275 0.66 F2 (0.35) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL23852054 0.66 RAPGEF4 (0.33) MAPTMAPK1KDM4EALDH1A1LMNA
SCHEMBL21630533 0.65 RAPGEF4 (0.39) L3MBTL1PIK3CAKMT2AALDH1A1LMNA

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
EP-4165045-A1 DUAL KINASE-BROMODOMAIN INHIBITORS Monash University (AU) 2023-04-19 — — EP disclosed
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