SCHEMBL30199583

SCHEMBL30199583

COc1ccc(NC(=O)c2cnco2)cc1S(=O)(=O)Nc1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
LMNA P02545 4/20 0.62
MEN1 O00255 4/20 0.62
ALDH1A1 P00352 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
ALOX12 P18054 2/20 0.62
GAA P10253 1/20 0.62
CRHBP P24387 1/20 0.62
CRHR2 Q13324 1/20 0.62
MAPT P10636 5/20 0.58
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.52
HTT P42858 1/20 0.52
ALPL P05186 8/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
TNF P01375 1/20 0.46

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
SCHEMBL23833708 1.00 KMT2A (0.62) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL25757169 0.81 KMT2A (0.65) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL25755588 0.80 MAPT (0.67) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL23846438 0.80 KMT2A (0.62) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL25755498 0.80 KMT2A (0.62) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL23846671 0.79 MAPT (0.60) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL17980878 0.79 KMT2A (0.61) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL29395779 0.79 KMT2A (0.61) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL25755504 0.79 MAPT (0.82) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL25755495 0.78 MAPT (0.67) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2

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-4121029-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF Amathus Therapeutics, Inc. (US) 2023-01-25 EP disclosed