SCHEMBL19805982

SCHEMBL19805982

CNSCCC[S+]([O-])c1nc(-c2ccc(=O)n(Cc3ccc(OC)c(OC)c3)c2)cc(C(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 13/20 0.46
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ GRK2 P25098 1/20 0.32
▸ MAPK10 P53779 1/20 0.31

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
SCHEMBL20985645 0.87 SDHB (0.45) SDHBMAPTTP53KDM4EALDH1A1
SCHEMBL20985733 0.87 SDHB (0.49) SDHBMAPTTP53
SCHEMBL29977013 0.87 SDHB (0.45) SDHBMAPTTP53KDM4EALDH1A1
SCHEMBL29975806 0.87 SDHB (0.49) SDHBMAPTTP53
SCHEMBL22912277 0.85 SDHB (0.48) SDHBMAPTTP53PDE2APDE3A
SCHEMBL20985681 0.84 SDHB (0.54) SDHBMAPTTP53PDE4APDE4B
SCHEMBL29975895 0.84 SDHB (0.54) SDHBMAPTTP53PDE4APDE4B
SCHEMBL20985704 0.82 SDHB (0.47) SDHBMAPTTP53
SCHEMBL29976232 0.82 SDHB (0.47) SDHBMAPTTP53
SCHEMBL20985656 0.80 SDHB (0.48) SDHBMAPTTP53PDE4APDE4B

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-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 — — WO disclosed
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