SCHEMBL6232098

SCHEMBL6232098

COc1cc(OCc2c(F)cccc2Cl)cc(OC)c1CNC(Cc1ccccc1)c1ncc(C)s1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.40
CTSA P10619 11/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.38
PDCD1 Q15116 1/20 0.38
GUCY1B2 O75343 1/20 0.37
GUCY1A2 P33402 1/20 0.37
GUCY1A1 Q02108 1/20 0.37
GUCY1B1 Q02153 1/20 0.37

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
SCHEMBL6232101 1.00 CD274 (0.40) CD274CTSASMN1; SMN2KMT2APDCD1
SCHEMBL6235514 0.88 CD274 (0.40) CD274CTSASMN1; SMN2KMT2APDCD1
SCHEMBL6232677 0.88 CD274 (0.46) CD274PDCD1
SCHEMBL6232680 0.88 CD274 (0.46) CD274PDCD1
SCHEMBL6236773 0.86 CTSA (0.41) CD274CTSASMN1; SMN2KMT2APDCD1
SCHEMBL6232102 0.83 CTSA (0.44) CD274CTSA
SCHEMBL6236045 0.82 CTSA (0.43) CD274CTSAPDCD1
SCHEMBL6236043 0.82 CTSA (0.43) CD274CTSAPDCD1
SCHEMBL6233373 0.80 CD274 (0.42) CD274CTSAPDCD1GUCY1B2GUCY1A2
SCHEMBL6235441 0.77 GPBAR1 (0.40) CD274CTSASMN1; SMN2KMT2A

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-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed