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Sugi Predict / Compounds / SCHEMBL6235523

SCHEMBL6235523

SCHEMBL6235523

COc1cc(OCc2c(F)cccc2Cl)cc(OC)c1CNCCC(C)Cc1ncc(C)s1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CD274 Q9NZQ7 10/20 0.39
▸ KMT2A Q03164 3/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ EGFR P00533 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ PDCD1 Q15116 1/20 0.35
▸ LMNA P02545 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
SCHEMBL6236777 0.89 SMN1; SMN2 (0.46) SMN1; SMN2CD274KMT2AGPBAR1EGFR
SCHEMBL6233378 0.82 CD274 (0.43) CD274KMT2AMEN1PDCD1
SCHEMBL6236773 0.80 CTSA (0.41) SMN1; SMN2CD274KMT2AGPBAR1PDCD1
SCHEMBL6235445 0.80 SMN1; SMN2 (0.44) SMN1; SMN2CD274KMT2AGPBAR1EGFR
SCHEMBL6237290 0.80 TMEM97 (0.36) CD274KMT2AMEN1
SCHEMBL6232102 0.78 CTSA (0.44) CD274
SCHEMBL6271288 0.78 PTPRZ1 (0.38) CD274PDCD1
SCHEMBL6234948 0.78 PTPRZ1 (0.38) CD274PDCD1
SCHEMBL6235514 0.77 CD274 (0.40) SMN1; SMN2CD274KMT2APDCD1
SCHEMBL6232101 0.76 CD274 (0.40) SMN1; SMN2CD274KMT2APDCD1

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