SCHEMBL29976635

SCHEMBL29976635

COc1ccc(CN2C=C(c3cc(C(F)F)nc(SC)n3)C=C(F)C2)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ KMT2A Q03164 6/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ LMNA P02545 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ CA2 P00918 1/20 0.32
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PDE11A Q9HCR9 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPK1 P28482 3/20 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
SCHEMBL20985662 0.73 SDHB (0.42) TP53MAPTPDE2APDE3AKMT2A
SCHEMBL19805843 0.72 SDHB (0.55) TP53MAPTPDE2APDE3ALMNA
SCHEMBL28307456 0.70 SDHB (0.43) TP53MAPTPDE2APDE3AKMT2A
SCHEMBL19805926 0.70 KDM4E (0.41) LMNASMN1; SMN2SIGMAR1ALDH1A1MAPK1
SCHEMBL28306340 0.69 TP53 (0.37) TP53MAPTPDE2APDE3AKMT2A
SCHEMBL26313133 0.67 SDHB (0.47) TP53MAPTKMT2AMEN1ALDH1A1
SCHEMBL26313137 0.64 SDHB (0.52) —
SCHEMBL19806009 0.63 L3MBTL1 (0.35) TP53MAPTKMT2AMEN1LMNA
SCHEMBL22912306 0.63 L3MBTL1 (0.35) TP53MAPTKMT2AMEN1LMNA
SCHEMBL19805988 0.63 SDHB (0.53) TP53MAPTPDE2APDE3ALMNA

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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