SCHEMBL9570522

SCHEMBL9570522

Cc1c(CC#N)cccc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 15/20 0.65
PDCD1 Q15116 4/20 0.65
DPP4 P27487 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
EPHX1 P07099 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL28380698 0.84 ALDH1A1 (0.45) CD274PDCD1ALDH1A1HPGD
SCHEMBL1343377 0.82 DPP4 (0.56) CD274PDCD1DPP4ALDH1A1HPGD
SCHEMBL22234041 0.79 DPP4 (0.44) CD274PDCD1DPP4ALDH1A1HPGD
SCHEMBL30462313 0.79 DPP4 (0.44) CD274PDCD1DPP4ALDH1A1HPGD
SCHEMBL358303 0.79 CD274 (1.00) CD274PDCD1DPP4ALDH1A1HPGD
SCHEMBL607544 0.79 CD274 (0.71) CD274PDCD1DPP4EPHX1PTGS1
SCHEMBL29558512 0.79 CD274 (1.00) CD274PDCD1DPP4ALDH1A1HPGD
SCHEMBL22910533 0.78 CD274 (0.65) CD274PDCD1DPP4EPHX1
SCHEMBL21153739 0.77 CD274 (0.69) CD274PDCD1DPP4EPHX1PTGS1
SCHEMBL7107915 0.77 CD274 (0.69) CD274PDCD1DPP4EPHX1PTGS1

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-0528148-A1 Compounds M 871563 A and B, having a azalomycin like structure HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-24 EP disclosed