SCHEMBL8820895

SCHEMBL8820895

COC(=O)C(CBr)NC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36

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
SCHEMBL13792046 0.83 THRB (0.39) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064309 0.82 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064029 0.82 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064041 0.82 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL4660645 0.80 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL5808266 0.80 TGFBR1 (0.44) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL4661948 0.80 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL5808264 0.80 TGFBR1 (0.44) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL4659641 0.80 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL18055691 0.80 TGFBR1 (0.44) SMN1; SMN2KDM4EMAPTTHRBALOX15

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-1997047610-A1 BENZAZOLE DERIVATIVES NOVARTIS AG (CH) 1997-12-18 — — WO disclosed
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