SCHEMBL3467548

SCHEMBL3467548

CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.71
MEN1 O00255 8/20 0.69
KMT2A Q03164 8/20 0.69
KLKB1 P03952 1/20 0.69
CTSB P07858 1/20 0.69
ELANE P08246 1/20 0.69
ALDH1A1 P00352 4/20 0.67
MAPT P10636 2/20 0.67
GAA P10253 1/20 0.67
MAPK1 P28482 1/20 0.67
POLB P06746 4/20 0.65
PKM P14618 2/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL5390639 0.88 ALDH1A1 (0.73) AKT1MEN1KMT2AKLKB1CTSB
SCHEMBL287025 0.83 AKT1 (1.00) AKT1MEN1KMT2AKLKB1CTSB
SCHEMBL282800 0.83 AKT1 (0.82) AKT1MEN1KMT2AKLKB1CTSB
SCHEMBL3468247 0.82 ALDH1A1 (0.66) AKT1MEN1KMT2AKLKB1CTSB
SCHEMBL5393345 0.82 ALDH1A1 (0.66) AKT1MEN1KMT2AKLKB1CTSB
SCHEMBL3466806 0.81 ALDH1A1 (0.66) AKT1MEN1KMT2AKLKB1CTSB
SCHEMBL5407138 0.81 MEN1 (1.00) AKT1MEN1KMT2AKLKB1CTSB
SCHEMBL282833 0.81 AKT1 (0.78) AKT1MEN1KMT2AKLKB1CTSB
SCHEMBL11891683 0.80 AKT1 (0.77) AKT1MEN1KMT2AKLKB1CTSB
SCHEMBL10108459 0.80 AKT1 (0.80) AKT1MEN1KMT2AKLKB1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO claimed
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO disclosed