SCHEMBL29267734

SCHEMBL29267734

COCCN1C(=O)COc2cc([N+](=O)[O-])c(C(=O)OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.42
▸ SIRT6 Q8N6T7 1/20 0.40
▸ THRB P10828 2/20 0.39
▸ POLB P06746 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ RECQL P46063 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ KMO O15229 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ LMNA P02545 1/20 0.36

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 0.90 ALDH1A1 (0.43) TSHRKDM4ESIRT6POLBMAPT
SCHEMBL23590845 0.90 ALDH1A1 (0.43) TSHRKDM4ESIRT6POLBMAPT
SCHEMBL23577603 0.85 MAPT (0.45) KDM4ESIRT6POLBMAPTRECQL
SCHEMBL30183974 0.84 KDM4E (0.39) TSHRKDM4ESIRT6POLBMAPT
SCHEMBL25387167 0.84 CTRC (0.38) TSHRKDM4ESIRT6POLBMAPT
SCHEMBL17934416 0.84 EGFR (0.46) KDM4EMAPTALDH1A1CYP3A4CYP2C19
SCHEMBL23577961 0.83 KDM4E (0.49) TSHRKDM4ETHRBPOLBMAPT
SCHEMBL30036330 0.83 KDM4E (0.49) TSHRKDM4ETHRBPOLBMAPT
SCHEMBL29010945 0.82 SIRT6 (0.45) KDM4ESIRT6POLBMAPTRECQL
SCHEMBL30183808 0.81 MAPT (0.36) TSHRKDM4ESIRT6THRBPOLB

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-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
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