SCHEMBL28307442

SCHEMBL28307442

COc1ccc(CN2C=C(c3cc(C(F)(F)F)nc(S(=O)(=O)CCC(=O)N4CCCCC4)n3)C=CC2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 9/20 0.62
▸ TP53 P04637 9/20 0.50
▸ SMN1; SMN2 Q16637 7/20 0.50
▸ NPSR1 Q6W5P4 5/20 0.50
▸ HPGD P15428 4/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ LMNA P02545 2/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ POLB P06746 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ RCE1 Q9Y256 1/20 0.41

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
SCHEMBL28306279 0.96 SDHB (0.68) SDHBTP53SMN1; SMN2NPSR1HPGD
SCHEMBL28306299 0.89 SMN1; SMN2 (0.64) SDHBTP53SMN1; SMN2NPSR1HPGD
SCHEMBL28306444 0.85 SDHB (0.54) SDHBTP53SMN1; SMN2NPSR1HPGD
SCHEMBL28307434 0.84 SDHB (0.63) SDHBTP53SMN1; SMN2NPSR1HPGD
SCHEMBL28306456 0.84 SDHB (0.64) SDHBTP53SMN1; SMN2NPSR1HPGD
SCHEMBL28307462 0.83 SDHB (0.59) SDHBTP53SMN1; SMN2NPSR1HPGD
SCHEMBL30526106 0.83 SDHB (0.59) SDHBTP53SMN1; SMN2NPSR1HPGD
SCHEMBL19805991 0.82 SDHB (0.66) SDHBTP53SMN1; SMN2NPSR1HPGD
SCHEMBL30526071 0.81 SDHB (0.92) SDHBTP53SMN1; SMN2NPSR1HPGD
SCHEMBL20985688 0.81 SDHB (0.92) SDHBTP53SMN1; SMN2NPSR1HPGD

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
CN-110023292-A Apoptosis inhibitor 北京生命科学研究所 2019-07-16 — — CN disclosed
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