SCHEMBL22912271

SCHEMBL22912271

COc1ccc(Cn2cc(-c3cc(-c4nc(-c5cc(Cn6cc(-c7cc(-c8ccco8)nc([S+](C)[O-])n7)ccc6=O)cc(OC)c5OC)co4)nc([S+](C)[O-])n3)ccc2=O)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 10/20 0.41
▸ ADORA2A P29274 4/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ FUBP1 Q96AE4 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ UBE2I P63279 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ APBA1 Q02410 1/20 0.33
▸ SAE1 Q9UBE0 1/20 0.33
▸ UBA2 Q9UBT2 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL19805724 0.89 SDHB (0.49) SDHBADORA2AADORA1FUBP1TSHR
SCHEMBL19805725 0.79 SDHB (0.49) SDHB
SCHEMBL19805712 0.77 SDHB (0.49) SDHBKMT2A
SCHEMBL19805721 0.75 SDHB (0.68) SDHB
SCHEMBL26312682 0.75 SDHB (0.54) SDHBSMN1; SMN2LMNAKMT2A
SCHEMBL19805713 0.75 SDHB (0.51) SDHBTSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL19805714 0.73 SDHB (0.49) SDHBHSD17B10KDM4EALDH1A1
SCHEMBL20985714 0.73 SDHB (0.54) SDHB
SCHEMBL20985681 0.72 SDHB (0.54) SDHBMAPTTP53SMN1; SMN2LMNA
SCHEMBL29976379 0.72 SDHB (0.70) SDHB

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
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 — — EP disclosed
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