SCHEMBL6236773

SCHEMBL6236773

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSA P10619 11/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CD274 Q9NZQ7 5/20 0.40
KMT2A Q03164 1/20 0.39
PDCD1 Q15116 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38

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
SCHEMBL6233373 0.93 CD274 (0.42) CTSACD274PDCD1
SCHEMBL6235441 0.90 GPBAR1 (0.40) CTSASMN1; SMN2CD274KMT2AGPBAR1
SCHEMBL6252802 0.90 GPBAR1 (0.40) CTSASMN1; SMN2CD274KMT2AGPBAR1
SCHEMBL6235514 0.90 CD274 (0.40) CTSASMN1; SMN2CD274KMT2APDCD1
SCHEMBL6232098 0.86 CD274 (0.40) CTSASMN1; SMN2CD274KMT2APDCD1
SCHEMBL6232101 0.86 CD274 (0.40) CTSASMN1; SMN2CD274KMT2APDCD1
SCHEMBL6257119 0.85 CTSA (0.39) CTSACD274PDCD1
SCHEMBL6257115 0.85 CTSA (0.39) CTSACD274PDCD1
SCHEMBL6231782 0.84 MAOB (0.43) SMN1; SMN2KMT2A
SCHEMBL6232102 0.84 CTSA (0.44) CTSACD274

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