SCHEMBL2556103

SCHEMBL2556103

CS(=O)(=O)c1cc(Br)ccc1CCC=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.37
EDNRA P25101 4/20 0.37
WDR5 P61964 5/20 0.34
TSHR P16473 1/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCR2 P41597 1/20 0.32
PLCG1 P19174 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 2/20 0.31

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
SCHEMBL1151001 0.81 ADRA1D (0.40) SMN1; SMN2CCR2
SCHEMBL25053095 0.79 EDNRB (0.48) EDNRBEDNRAWDR5TSHRGLA
SCHEMBL29738016 0.78 CA1 (0.40) EDNRBEDNRAWDR5TSHRGLA
SCHEMBL2585091 0.78 CA1 (0.40) EDNRBEDNRAWDR5TSHRGLA
SCHEMBL2552728 0.77 CA2 (0.41) EDNRBEDNRAWDR5TSHRGLA
SCHEMBL15139967 0.77 SLC6A4 (0.41) EDNRBEDNRAWDR5TSHRGLA
SCHEMBL17713483 0.76 ADRA1D (0.40) PLCG1
SCHEMBL1792921 0.76 WDR5 (0.40) EDNRBEDNRAWDR5TSHRGLA
SCHEMBL2594694 0.76 TSHR (0.37) EDNRBEDNRAWDR5TSHRGLA
SCHEMBL7376519 0.76 CYP2A6 (0.39) EDNRBEDNRAWDR5TSHRGLA

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-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed