SCHEMBL9701348

SCHEMBL9701348

CC(Cn1cc(Sc2ccccc2)c2cc(Cl)ccc21)N(O)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.54
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
PPARG P37231 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RHEB Q15382 1/20 0.38
CPT1A P50416 2/20 0.36
CPT2 P23786 1/20 0.36
CPT1B Q92523 1/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A9 P48067 1/20 0.35
ICMT O60725 1/20 0.35

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
SCHEMBL9700688 0.87 BRCA1 (0.44) PTGDR2MEN1MAPTKMT2AHSD17B10
SCHEMBL9701386 0.76 BRCA1 (0.41) PTGDR2MEN1MAPTKMT2AHSD17B10
SCHEMBL14470724 0.75 PTGDR2 (0.61) PTGDR2MEN1CYP3A4MAPTALOX15
SCHEMBL9701790 0.75 BRCA1 (0.46) MEN1MAPTKMT2AHSD17B10ALOX5
SCHEMBL9701766 0.75 KAT2B (0.42) ICMTALOX5
SCHEMBL10172212 0.71 PTGDR2 (0.48) PTGDR2MEN1CYP3A4MAPTALOX15
SCHEMBL13470741 0.69 PTGDR2 (0.47) PTGDR2MEN1CYP3A4MAPTALOX15
SCHEMBL10268362 0.69 CPT1A (0.53) PTGDR2MEN1CYP3A4MAPTALOX15
SCHEMBL19340109 0.69 PTGDR2 (0.46) PTGDR2MEN1CYP3A4MAPTALOX15
SCHEMBL21027884 0.67 PTGDR2 (0.49) PTGDR2MEN1CYP3A4MAPTALOX15

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
US-5132319-A Antiasthmatic, antiinflammatory, antiallergen and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1992-07-21 US disclosed