SCHEMBL25032069

SCHEMBL25032069

CC(C)CNc1ccc(P(C)(C)=O)c2ccoc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ KDM6B O15054 1/20 0.31
▸ KDM4C Q9H3R0 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
SCHEMBL25033146 0.81 — —
SCHEMBL25032072 0.71 IDO1 (0.33) IDO1KDM6BKDM4C
SCHEMBL25032065 0.70 IDO1 (0.34) IDO1GAAKDM6BKDM4C
SCHEMBL25033152 0.69 — —
SCHEMBL25032056 0.68 IDO1 (0.32) IDO1
SCHEMBL25032077 0.65 PTGS2 (0.41) IDO1ALDH1A1MAPTGAA
SCHEMBL25032076 0.64 ADRB1 (0.39) —
SCHEMBL25032068 0.59 MEN1 (0.35) IDO1ALDH1A1MAPTKDM6BKDM4C
SCHEMBL6249635 0.57 IDO1 (0.57) IDO1KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL29212491 0.56 — —

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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