SCHEMBL29199435

SCHEMBL29199435

COc1ccc(C(=O)c2noc(=O)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.51
▸ MAPT P10636 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ PTPN7 P35236 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL29199431 0.82 CES2 (0.51) HPGDMAPTRAB9AKMT2ALMNA
SCHEMBL30866417 0.82 CES2 (0.51) HPGDMAPTRAB9AKMT2ALMNA
SCHEMBL9418310 0.73 RXFP1 (0.79) HPGDMAPTRAB9AKMT2ALMNA
SCHEMBL51509 0.73 RXFP1 (0.79) HPGDMAPTRAB9AKMT2ALMNA
SCHEMBL12378791 0.71 LMNA (0.60) HPGDMAPTRAB9AKMT2ALMNA
SCHEMBL31612201 0.71 MAPT (0.63) HPGDMAPTRAB9AKMT2ALMNA
SCHEMBL22446521 0.70 NOTUM (0.54) HPGDMAPTRAB9AKMT2ALMNA
SCHEMBL30301343 0.70 RXFP1 (0.55) HPGDRXFP1ALDH1A1SMN1; SMN2KDM4E
Ethyne SCHEMBL8195983 0.69 RXFP1 (0.73) HPGDMAPTRAB9AKMT2ALMNA
SCHEMBL9563117 0.69 RXFP1 (0.61) HPGDMAPTRAB9AKMT2ALMNA

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-111587239-B Method for producing lactam compound and lactam compound produced by the method 基础科学研究院 2024-04-02 — — CN disclosed
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