SCHEMBL28533426

SCHEMBL28533426

COc1ccc(Br)c(C2(C=O)CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ERN1 O75460 2/20 0.32
NNMT P40261 1/20 0.31
TXNRD1 Q16881 1/20 0.31

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
SCHEMBL23649489 0.77
SCHEMBL4320020 0.71 ERN1 (0.41) POLBTDP1ERN1NNMT
SCHEMBL29850137 0.68 POLB (0.50) POLBTDP1ERN1NNMT
SCHEMBL1460108 0.68 POLB (0.50) POLBTDP1ERN1NNMT
SCHEMBL5775323 0.66 POLB (0.36) POLBTDP1NNMT
SCHEMBL2969903 0.66 CYP1A2 (0.41) POLBTDP1NNMTTXNRD1
SCHEMBL30207735 0.66 CYP1A2 (0.41) POLBTDP1NNMTTXNRD1
SCHEMBL21046505 0.65 L3MBTL1 (0.37) POLBTDP1NNMT
SCHEMBL1712251 0.65 ERN1 (0.46) POLBTDP1ERN1
SCHEMBL1461146 0.64 NNMT (0.48) POLBTDP1NNMT

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-110128432-B Nitrogenous tricyclic compound and application thereof in medicine 广东东阳光药业有限公司 2021-03-02 CN disclosed
CN-107686486-B Nitrogenous tricyclic compound and application thereof in medicine 广东东阳光药业有限公司 2020-12-22 CN disclosed