SCHEMBL25033103

SCHEMBL25033103

C#CCNc1ccc(P(C)(C)=O)cc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ MAPT P10636 4/20 0.33
▸ HTT P42858 3/20 0.33
▸ PKM P14618 2/20 0.33
▸ LMNA P02545 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ APP P05067 1/20 0.33
▸ PYCR1 P32322 1/20 0.32
▸ PDE3B Q13370 5/20 0.32
▸ PDE3A Q14432 5/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ GAA P10253 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
SCHEMBL30184453 1.00 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL25030921 0.81 MAPT (0.31) MAPT
SCHEMBL25033427 0.78 MAOA (0.35) MAPTLMNARAB9A
SCHEMBL25033233 0.77 MAOA (0.30) —
SCHEMBL30184645 0.77 MAOA (0.30) —
SCHEMBL30871276 0.75 INSR (0.41) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL29212426 0.75 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL25033172 0.75 RECQL (0.34) ALDH1A1LMNAKDM4E
SCHEMBL25033063 0.75 INSR (0.41) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL29212352 0.75 INSR (0.33) —

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
WO-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 — — WO disclosed
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