SCHEMBL28910513

SCHEMBL28910513

O=S(=O)(Cc1ccc(N2CCOCC2)cc1)c1nc(-c2cccs2)cc(C(F)(F)F)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 5/20 0.68
▸ KDM4E B2RXH2 7/20 0.61
▸ MAPK1 P28482 3/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ TSHR P16473 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ ALDH1A1 P00352 4/20 0.55
▸ HPGD P15428 3/20 0.55
▸ HTT P42858 3/20 0.55
▸ TP53 P04637 11/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ LMNA P02545 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ S1PR4 O95977 1/20 0.54
▸ S1PR1 P21453 1/20 0.54
▸ GAA P10253 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL19805784 0.83 SDHB (0.88) SDHBKDM4EMAPK1HSD17B10TDP1
SCHEMBL20985628 0.83 SDHB (0.68) SDHBKDM4EMAPK1HSD17B10TSHR
SCHEMBL23897432 0.83 SDHB (0.68) SDHBKDM4EMAPK1HSD17B10TSHR
SCHEMBL19805799 0.79 SDHB (0.77) SDHBKDM4EMAPK1HSD17B10TDP1
SCHEMBL28910482 0.78 KDM4E (0.61) SDHBKDM4EMAPK1HSD17B10TSHR
SCHEMBL19805808 0.76 SDHB (1.00) SDHBKDM4EMAPK1HSD17B10TDP1
SCHEMBL20985687 0.76 SDHB (0.68) SDHBKDM4EMAPK1HSD17B10TDP1
SCHEMBL19806030 0.74 SDHB (0.86) SDHBKDM4EMAPK1HSD17B10TDP1
SCHEMBL28910484 0.74 KDM4E (0.61) SDHBKDM4EMAPK1HSD17B10TSHR
SCHEMBL19805798 0.74 SDHB (0.73) SDHBKDM4EMAPK1HSD17B10TDP1

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-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 — — CN disclosed
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