SCHEMBL28306299

SCHEMBL28306299

COc1ccc(CN2C=C(c3cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)N4CCOCC4)n3)C=CC2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.64
▸ TP53 P04637 7/20 0.64
▸ KDM4E B2RXH2 7/20 0.64
▸ HPGD P15428 5/20 0.64
▸ NPSR1 Q6W5P4 5/20 0.64
▸ HSD17B10 Q99714 4/20 0.64
▸ STAT3 P40763 4/20 0.64
▸ LMNA P02545 3/20 0.64
▸ SDHB P21912 8/20 0.60
▸ KMT2A Q03164 6/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ TSHR P16473 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ HTT P42858 5/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ MAPT P10636 1/20 0.45
▸ BRCA1 P38398 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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 0.93 SDHB (0.68) SMN1; SMN2TP53KDM4EHPGDNPSR1
SCHEMBL28307442 0.89 SDHB (0.62) SMN1; SMN2TP53KDM4EHPGDNPSR1
SCHEMBL28306444 0.86 SDHB (0.54) SMN1; SMN2TP53KDM4EHPGDNPSR1
SCHEMBL28307434 0.85 SDHB (0.63) SMN1; SMN2TP53KDM4EHPGDNPSR1
SCHEMBL28306456 0.84 SDHB (0.64) SMN1; SMN2TP53KDM4EHPGDNPSR1
SCHEMBL19805991 0.82 SDHB (0.66) SMN1; SMN2TP53KDM4EHPGDNPSR1
SCHEMBL29976415 0.82 SDHB (0.88) SMN1; SMN2TP53KDM4EHPGDNPSR1
SCHEMBL20985718 0.82 SDHB (0.88) SMN1; SMN2TP53KDM4EHPGDNPSR1
SCHEMBL30526106 0.81 SDHB (0.59) SMN1; SMN2TP53KDM4EHPGDNPSR1
SCHEMBL28307462 0.81 SDHB (0.59) SMN1; SMN2TP53KDM4EHPGDNPSR1

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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