SCHEMBL28826073

SCHEMBL28826073

Cn1c(C=O)c(OC(N)=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 6/20 0.46
▸ TDP1 Q9NUW8 6/20 0.46
▸ ATM Q13315 3/20 0.46
▸ KMT2A Q03164 4/20 0.44
▸ PKM P14618 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ EGFR P00533 2/20 0.42
▸ SRC P12931 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL28826079 0.77 KDM4E (0.46) L3MBTL1KMT2APKMALDH1A1KDM4E
SCHEMBL26631768 0.73 TDP1 (0.54) L3MBTL1TDP1ATMALDH1A1KDM4E
SCHEMBL14560448 0.72 EGFR (0.50) L3MBTL1TDP1ATMALDH1A1KDM4E
SCHEMBL7263191 0.72 NPC1 (0.53) L3MBTL1TDP1ATMKMT2AALDH1A1
SCHEMBL1092376 0.71 L3MBTL1 (0.55) L3MBTL1TDP1ATMALDH1A1KDM4E
SCHEMBL15959922 0.71 POLB (0.53) L3MBTL1TDP1KMT2AALDH1A1KDM4E
SCHEMBL14560411 0.70 ATM (0.43) L3MBTL1TDP1ATMKMT2AALDH1A1
SCHEMBL28165403 0.69 L3MBTL1 (0.54) L3MBTL1TDP1ATMALDH1A1KDM4E
SCHEMBL14222653 0.69 L3MBTL1 (0.54) L3MBTL1TDP1ATMALDH1A1KDM4E
SCHEMBL28236134 0.69 L3MBTL1 (0.54) L3MBTL1TDP1ATMALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114981275-B Tricyclic compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-12-19 — — CN disclosed
CN-114981275-A Tricyclic compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2022-08-30 — — CN disclosed
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