SCHEMBL28901595

SCHEMBL28901595

O=C(O)c1cc2ccc(C3=CCOCC3)cc2cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 1/20 0.44
▸ TBK1 Q9UHD2 1/20 0.44
▸ FABP7 O15540 3/20 0.42
▸ ABL1 P00519 1/20 0.40
▸ PIK3CD O00329 6/20 0.39
▸ PIK3CA P42336 6/20 0.39
▸ PIK3CB P42338 4/20 0.39
▸ PIK3CG P48736 4/20 0.39
▸ HTR1D P28221 1/20 0.38
▸ FABP5 Q01469 2/20 0.38
▸ FABP3 P05413 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PIK3R1 P27986 2/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ ULK1 O75385 1/20 0.37
▸ SYK P43405 2/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ BRD4 O60885 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
SCHEMBL27143486 0.86 LCK (0.43) IKBKETBK1FABP7ABL1PIK3CD
SCHEMBL31413391 0.86 LCK (0.43) IKBKETBK1FABP7ABL1PIK3CD
SCHEMBL31704722 0.81 PIK3CD (0.46) IKBKETBK1FABP7PIK3CDPIK3CA
SCHEMBL27151053 0.78 PIK3CD (0.40) IKBKETBK1PIK3CDPIK3CAHTR1D
SCHEMBL31413485 0.78 PIK3CD (0.40) IKBKETBK1PIK3CDPIK3CAHTR1D
SCHEMBL30023029 0.78 IKBKE (0.50) IKBKETBK1FABP7PIK3CDPIK3CA
SCHEMBL420951 0.72 IKBKE (0.44) IKBKETBK1FABP7PIK3CDPIK3CA
SCHEMBL31706000 0.72 KMO (0.47) —
SCHEMBL21033161 0.70 PTGS1 (0.43) IKBKETBK1FABP7PIK3CDPIK3CA
SCHEMBL31704646 0.69 PIK3CA (0.48) IKBKETBK1FABP7PIK3CDPIK3CA

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-115397822-A CBP/EP300 inhibitors and uses thereof 南京药石科技股份有限公司 2022-11-25 — — CN disclosed
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