SCHEMBL4108679

SCHEMBL4108679

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NS(=O)(=O)c1ccccc1S(N)(=O)=O.NS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)c1ccc2oc(-c3ccccc3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 1/20 0.49
NR1H4 Q96RI1 1/20 0.46
PPARA Q07869 10/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PPARG P37231 4/20 0.41
PPARD Q03181 3/20 0.41
CHRM4 P08173 1/20 0.40
FFAR1 O14842 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2930244 0.91 CHEK1 (0.41) ALDH1A1GAANPC1NR1H4PPARA
SCHEMBL979627 0.85 ALDH1A1 (0.63) ALDH1A1GAANPC1NR1H4PPARA
SCHEMBL976561 0.81 PTGES (0.53) FFAR1
SCHEMBL977932 0.79 ALDH1A1 (0.60) ALDH1A1GAANPC1NR1H4PPARA
SCHEMBL979194 0.79 KMT2A (0.62) ALDH1A1GAANPC1MEN1KMT2A
SCHEMBL979104 0.78 PTGES2 (0.43) ALDH1A1GAANPC1MEN1KMT2A
SCHEMBL978370 0.77 HDAC6 (0.48) GAAMAPT
SCHEMBL978358 0.74 PTGES2 (0.59) ALDH1A1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL979379 0.74 GAA (0.61) ALDH1A1GAANPC1PPARAMEN1
SCHEMBL977985 0.74 HDAC6 (0.57) MEN1KMT2AMAPT

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
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed