SCHEMBL28910510

SCHEMBL28910510

COc1ccc(CN2C=C(c3cc(-c4cccs4)nc(S(=O)(=O)CCC(OCc4ccccc4)c4ccccc4)n3)C=CC2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ SDHB P21912 9/20 0.38
▸ MAPT P10636 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GBA1 P04062 1/20 0.31
▸ APLNR P35414 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
SCHEMBL28306356 0.87 SDHB (0.35) TP53SDHBMAPTHPGDMEN1
SCHEMBL28306419 0.87 SDHB (0.46) TP53SMN1; SMN2SDHBKDM4EALDH1A1
SCHEMBL28910522 0.87 KDM4E (0.34) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL20985627 0.81 SDHB (0.54) TP53SMN1; SMN2SDHB
SCHEMBL28307450 0.74 SDHB (0.39) TP53SMN1; SMN2SDHBKDM4EHPGD
SCHEMBL28306288 0.74 — —
SCHEMBL28307468 0.73 PDE2A (0.32) TP53MAPTKMT2A
SCHEMBL29976562 0.73 SDHB (0.69) TP53SMN1; SMN2SDHBMAPTTDP1
SCHEMBL19805748 0.73 SDHB (0.69) TP53SMN1; SMN2SDHBMAPTTDP1
SCHEMBL28306298 0.70 SDHB (0.50) TP53SMN1; SMN2SDHBMAPTHPGD

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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