SCHEMBL24895037

SCHEMBL24895037

O=C1NC(=O)C2(COC2)c2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 3/20 0.47
▸ AKR1A1 P14550 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ PARP10 Q53GL7 2/20 0.37
▸ PARP11 Q9NR21 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ MAOA P21397 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CMA1 P23946 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ S100A4 P26447 1/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34

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
SCHEMBL24894969 0.85 TDP2 (0.51) TDP2AKR1A1AKR1B1PARP10PARP11
SCHEMBL24895273 0.83 TDP2 (0.49) TDP2AKR1A1AKR1B1PARP10PARP11
SCHEMBL22745965 0.83 TDP2 (0.49) TDP2AKR1A1AKR1B1PARP10PARP11
SCHEMBL22745997 0.81 TDP2 (0.47) TDP2AKR1A1AKR1B1PARP10PARP11
SCHEMBL24895277 0.80 TDP2 (0.46) TDP2AKR1A1AKR1B1PARP10PARP11
SCHEMBL16868740 0.79 PDK2 (0.40) TDP2AKR1A1AKR1B1MAPTS100A4
SCHEMBL24457643 0.74 TDP2 (0.43) TDP2AKR1A1AKR1B1PARP10PARP11
SCHEMBL22745698 0.73 TDP2 (0.49) TDP2AKR1A1AKR1B1PARP10PARP11
SCHEMBL30932956 0.73 TDP2 (0.49) TDP2AKR1A1AKR1B1PARP10PARP11
SCHEMBL22904499 0.72 TDP2 (0.47) TDP2AKR1A1AKR1B1PARP10PARP11

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-117940120-A Compounds, compositions, and methods 戴纳立制药公司 2024-04-26 — — CN disclosed
WO-2023288039-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2023-01-19 — — WO disclosed
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