SCHEMBL28307440

SCHEMBL28307440

COc1cccc([S+]([O-])c2nc(C3=CN(Cc4ccc(OC)c(OC)c4)CC=C3)cc(C(F)F)n2)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL28306396 0.89 ALDH1A1 (0.34) MAPTTP53PDE2APDE3AMEN1
SCHEMBL28306340 0.87 TP53 (0.37) MAPTTP53PDE2APDE3AKMT2A
SCHEMBL28307468 0.78 PDE2A (0.32) MAPTTP53PDE2APDE3AKMT2A
SCHEMBL29976030 0.77 SDHB (0.48) MAPTTP53MEN1KMT2A
SCHEMBL20985678 0.77 SDHB (0.48) MAPTTP53MEN1KMT2A
SCHEMBL28307456 0.77 SDHB (0.43) MAPTTP53PDE2APDE3AMEN1
SCHEMBL28307435 0.75 SDHB (0.33) MAPTTP53PDE2APDE3AKMT2A
SCHEMBL28307461 0.73 SDHB (0.39) MAPTTP53MEN1KMT2ALMNA
SCHEMBL28307428 0.73 DRD4 (0.30) —
SCHEMBL28307450 0.70 SDHB (0.39) TP53PDE2APDE3AMEN1KMT2A

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-A Apoptosis inhibitor 北京生命科学研究所 2019-07-16 — — CN disclosed
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