SCHEMBL29247983

SCHEMBL29247983

CN(C)c1ccc(C(O)C(C=O)c2ccc(F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.51
▸ APP P05067 3/20 0.47
▸ GAA P10253 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SNCA P37840 1/20 0.40
▸ BRCA1 P38398 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ AOC3 Q16853 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ CYP2A13 Q16696 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MPO P05164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TUBB4A P04350 1/20 0.36

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
SCHEMBL29247980 0.82 KMT2A (0.52) KMT2AAPPGAAKDM4ETP53
SCHEMBL28182150 0.81 ALDH1A1 (0.46) KMT2AGAAKDM4EMEN1MAPT
SCHEMBL13917807 0.74 ALDH1A1 (0.58) KMT2AGAAKDM4ETP53MEN1
SCHEMBL19416754 0.73 ALDH1A1 (0.48) KMT2AAPPGAAKDM4EMEN1
SCHEMBL59001 0.72 APP (0.73) KMT2AAPPGAAKDM4ETP53
SCHEMBL28263979 0.71 AOC3 (0.38) KMT2AGAAKDM4EMEN1ALDH1A1
SCHEMBL28914889 0.71 ALDH1A1 (0.48) KMT2AGAAKDM4ETP53MEN1
SCHEMBL11279441 0.71 ALDH1A1 (0.71) KMT2AAPPGAAKDM4ETP53
SCHEMBL11279438 0.71 ALDH1A1 (0.71) KMT2AAPPGAAKDM4ETP53
SCHEMBL6312542 0.69 ALDH1A1 (0.50) KMT2AGAAKDM4ETP53MEN1

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-115947711-B Photochemical caching agent and synthesis method thereof 上海泰辉生物科技有限公司 2024-06-11 — — CN disclosed
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