SCHEMBL23590845

SCHEMBL23590845

CCN1C(=O)COc2cc([N+](=O)[O-])c(C(=O)OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ POLB P06746 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ RECQL P46063 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ FGFR3 P22607 1/20 0.37

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
SCHEMBL30183714 1.00 ALDH1A1 (0.43) ALDH1A1SIRT6KDM4EPOLBMAPT
SCHEMBL29267734 0.90 TSHR (0.44) ALDH1A1SIRT6KDM4EPOLBMAPT
SCHEMBL30183974 0.87 KDM4E (0.39) ALDH1A1SIRT6KDM4EPOLBMAPT
SCHEMBL25387167 0.87 CTRC (0.38) ALDH1A1SIRT6KDM4EPOLBMAPT
SCHEMBL25387764 0.86 MAPT (0.48) ALDH1A1MAPTHTTUSP2PLK1
SCHEMBL23577603 0.85 MAPT (0.45) ALDH1A1SIRT6KDM4EPOLBMAPT
SCHEMBL30183808 0.83 MAPT (0.36) ALDH1A1SIRT6KDM4EPOLBMAPT
SCHEMBL30036494 0.83 MAPT (0.36) ALDH1A1SIRT6KDM4EPOLBMAPT
SCHEMBL17934416 0.82 EGFR (0.46) ALDH1A1KDM4EMAPT
SCHEMBL30036618 0.81 KDM4E (0.52) ALDH1A1KDM4EMAPTKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115605476-B Substituted tricyclic compounds 鲁宾有限公司 2024-05-24 — — CN disclosed
CN-115605476-A Substituted tricyclic compounds 鲁宾有限公司(IN) 2023-01-13 — — CN disclosed
WO-2021130731-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2021-07-01 — — WO disclosed
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