SCHEMBL2925629

SCHEMBL2925629

Cc1nc(-c2cccc(C(F)(F)F)c2)sc1C(=O)NS(=O)(=O)c1ccccc1S(N)(=O)=O.NS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)c1cccc(COCC(F)(F)C(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.45
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 4/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 3/20 0.40
NR1H4 Q96RI1 1/20 0.40
PPARG P37231 2/20 0.38
PPARD Q03181 1/20 0.38
POLB P06746 1/20 0.38
BCL2L1 Q07817 1/20 0.37
BAK1 Q16611 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
GHSR Q92847 1/20 0.36

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
SCHEMBL977932 0.85 ALDH1A1 (0.60) PPARAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL979564 0.83 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTNPC1HPGD
SCHEMBL979627 0.77 ALDH1A1 (0.63) PPARAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL979194 0.74 KMT2A (0.62) ALDH1A1SMN1; SMN2MAPTNPC1HPGD
SCHEMBL4108679 0.73 ALDH1A1 (0.49) PPARAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL978615 0.72 KMT2A (0.57) PPARAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL3735358 0.70 PTGES (0.44) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL979379 0.69 GAA (0.61) PPARAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL2930244 0.68 CHEK1 (0.41) PPARAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL4740518 0.66 ALDH1A1 (0.81) PPARAALDH1A1SMN1; SMN2MAPTNPC1

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
EP-2217566-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 AstraZeneca AB (SE) 2010-08-18 EP disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed