SCHEMBL11647052

SCHEMBL11647052

CC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.74
▸ SMN1; SMN2 Q16637 4/20 0.74
▸ GAA P10253 2/20 0.74
▸ TP53 P04637 1/20 0.74
▸ THRB P10828 1/20 0.74
▸ ALDH1A1 P00352 5/20 0.64
▸ HPGD P15428 1/20 0.64
▸ PGR P06401 3/20 0.61
▸ HDAC3 O15379 2/20 0.57
▸ HDAC4 P56524 2/20 0.57
▸ HDAC1 Q13547 2/20 0.57
▸ HDAC7 Q8WUI4 2/20 0.57
▸ HDAC2 Q92769 2/20 0.57
▸ HDAC10 Q969S8 2/20 0.57
▸ HDAC11 Q96DB2 2/20 0.57
▸ HDAC8 Q9BY41 2/20 0.57
▸ HDAC6 Q9UBN7 2/20 0.57
▸ HDAC9 Q9UKV0 2/20 0.57
▸ HDAC5 Q9UQL6 2/20 0.57
▸ MEN1 O00255 3/20 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
SCHEMBL7366821 0.87 AKR1C3 (0.67) MAPTSMN1; SMN2GAATP53THRB
SCHEMBL23093355 0.86 ALDH1A1 (0.64) MAPTSMN1; SMN2GAATP53THRB
SCHEMBL21802493 0.86 CYP19A1 (0.69) MAPTSMN1; SMN2GAATP53THRB
SCHEMBL8275670 0.83 HDAC3 (0.79) MAPTSMN1; SMN2GAATP53THRB
SCHEMBL27181037 0.82 MEN1 (0.66) MAPTSMN1; SMN2GAATP53THRB
SCHEMBL30926962 0.82 MEN1 (0.66) MAPTSMN1; SMN2GAATP53THRB
SCHEMBL28262522 0.82 MAPT (0.74) MAPTSMN1; SMN2GAATP53THRB
SCHEMBL23093556 0.81 ALDH1A1 (0.62) MAPTSMN1; SMN2GAATP53THRB
SCHEMBL7449594 0.81 MEN1 (0.84) MAPTSMN1; SMN2THRBHDAC2HDAC8
SCHEMBL7444940 0.81 MEN1 (0.65) MAPTSMN1; SMN2TP53THRBMEN1

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
US-4125614-A DIURETIC HOECHST AKTIENGESELLSCHAFT (DE) 1978-11-14 — — US disclosed
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