SCHEMBL19805996

SCHEMBL19805996

COc1ccc(Cn2cc(-c3cc(C(F)F)nc(SCCCOCc4ccccc4)n3)ccc2=O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 13/20 0.46
▸ PDE4A P27815 2/20 0.37
▸ PDE4B Q07343 2/20 0.37
▸ PDE4C Q08493 2/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ PDE2A O00408 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL19805988 0.90 SDHB (0.53) SDHBMAPTTP53PDE2APDE3A
SCHEMBL19806088 0.88 SDHB (0.54) SDHBMAPTTP53PDE2APDE3A
SCHEMBL22912212 0.86 SDHB (0.46) SDHBPDE4APDE4BPDE4CPDE4D
SCHEMBL22912277 0.85 SDHB (0.48) SDHBMAPTTP53PDE2APDE3A
SCHEMBL20985660 0.84 SDHB (0.63) SDHBPDE4APDE4BPDE4CPDE4D
SCHEMBL19805843 0.82 SDHB (0.55) SDHBPDE4APDE4BPDE4CPDE4D
SCHEMBL22912209 0.79 SDHB (0.48) SDHBTP53
SCHEMBL26313164 0.78 SDHB (0.49) SDHBPDE4APDE4BPDE4CPDE4D
SCHEMBL26313146 0.78 SDHB (0.49) SDHBPDE4APDE4BPDE4CPDE4D
SCHEMBL22912307 0.78 NPC1 (0.33) MAPTTP53PDE2APDE3AMEN1

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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