SCHEMBL8544817

SCHEMBL8544817

O=C(O)CCc1cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ESR1 P03372 1/20 0.49
BRD4 O60885 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
WDR5 P61964 1/20 0.47
CES1 P23141 1/20 0.47
FFAR1 O14842 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP19A1 P11511 1/20 0.46
TBXA2R P21731 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
ATIC P31939 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
CHEK2 O96017 1/20 0.43

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
SCHEMBL8539408 0.89 MAPT (0.49) GAAMAPTESR1BRD4MEN1
SCHEMBL9370958 0.81 MMP2 (0.56) FFAR1ALDH1A1
SCHEMBL8539179 0.78 POLB (0.47) GAAMAPTESR1MEN1KMT2A
SCHEMBL8544819 0.78 HTR6 (0.59) GAAMAPTBRD4MEN1KMT2A
SCHEMBL6257664 0.75 ESR1 (0.52) MAPTESR1MEN1KMT2AALDH1A1
SCHEMBL30222912 0.75 SIRT1 (0.58) MEN1KMT2AFFAR1SIRT1
SCHEMBL14018691 0.75 MAPT (0.59) GAAMAPTESR1BRD4MEN1
SCHEMBL14044801 0.74 MAPT (0.55) GAAMAPTESR1BRD4MEN1
SCHEMBL8172861 0.73 MAPT (0.62) MAPTMEN1KMT2AALDH1A1
SCHEMBL4169893 0.73 BRD4 (0.53) GAAMAPTESR1BRD4PTGDR2

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-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP claimed