SCHEMBL2556288

SCHEMBL2556288

CS(=O)(=O)c1cc(I)cc(C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.31
PTGS2 P35354 1/20 0.30
ENPP2 Q13822 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL16962807 0.76 PTGS2 (0.38) PTGS2
SCHEMBL2264873 0.76 PTGS2 (0.38) PTGS2
SCHEMBL2555911 0.76 ALDH1A1 (0.41) ERN1PTGS2ENPP2
SCHEMBL16439841 0.75 ERN1 (0.41) ERN1PTGS2
SCHEMBL6897431 0.75 ERN1 (0.41) ERN1PTGS2
SCHEMBL19060103 0.73 LOX (0.41) LMNA
SCHEMBL309183 0.71 ENPP2 (0.46) PTGS2ENPP2LMNA
SCHEMBL17663615 0.70 CYP2A6 (0.42) ERN1
SCHEMBL41941 0.69 CA12 (0.47)
SCHEMBL30402657 0.69 CA12 (0.47)

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