SCHEMBL5041187

SCHEMBL5041187

COC(C(=O)NCc1ccc(C(=N)N)cc1)c1c(F)ccc(Nc2ccccc2)c1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F7 P08709 8/20 0.47
ADRA1B P35368 4/20 0.47
F3 P13726 1/20 0.45
F2 P00734 11/20 0.45
MASP2 O00187 2/20 0.45
PKM P14618 1/20 0.44
ST14 Q9Y5Y6 1/20 0.42
F10 P00742 2/20 0.42
PRSS1 P07477 2/20 0.42
TMPRSS6 Q8IU80 2/20 0.41
TPSAB1 Q15661 1/20 0.41

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
SCHEMBL5041191 1.00 F7 (0.47) F7ADRA1BF3F2MASP2
Acetic Acid SCHEMBL5040883 0.98 F7 (0.45) F7ADRA1BF3F2MASP2
SCHEMBL5041241 0.90 PKM (0.43) F7ADRA1BF3F2MASP2
SCHEMBL5041248 0.90 PKM (0.43) F7ADRA1BF3F2MASP2
Hydrochloric Acid SCHEMBL5041028 0.86 F7 (0.43) F7ADRA1BF3F2MASP2
Hydrochloric Acid SCHEMBL5041022 0.86 F7 (0.43) F7ADRA1BF3F2MASP2
Hydrochloric Acid SCHEMBL5042414 0.85 F7 (0.50) F7ADRA1BF3F2MASP2
Acetic Acid SCHEMBL5045452 0.85 F7 (0.54) F7ADRA1BF3F2MASP2
SCHEMBL5043466 0.84 PKM (0.45) PKM
SCHEMBL5043462 0.84 PKM (0.45) PKM

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-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed