SCHEMBL27316074

SCHEMBL27316074

COc1cc(C(C)=O)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.47
▸ LMNA P02545 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALPL P05186 4/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MAPT P10636 6/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ NNMT P40261 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.35

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
SCHEMBL28154526 0.84 ALPL (0.54) MAPK1LMNATDP1ALPLCA9
SCHEMBL30107039 0.82 MAPK1 (0.70) MAPK1LMNAALPLCYP1A2MAPT
SCHEMBL30341948 0.82 NNMT (0.47) MAPK1LMNATDP1ALPLCA9
SCHEMBL17672394 0.77 MAPK1 (0.79) MAPK1LMNAALPLCYP1A2MAPT
SCHEMBL12011328 0.77 MAPK1 (0.52) MAPK1ALPLMAPTALDH1A1KDM4E
SCHEMBL27256360 0.77 RAB9A (0.59) MAPK1LMNAALPLCYP1A2MAPT
SCHEMBL12168148 0.73 HCAR2 (0.59) MAPK1HCAR2
SCHEMBL569002 0.72 — —
SCHEMBL13279353 0.72 MAPK1 (0.47) MAPK1LMNAHCAR2
SCHEMBL17641610 0.71 — —

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-2024026481-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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