SCHEMBL29267748

SCHEMBL29267748

CCN1C(=O)C(C)(C)Oc2cc([N+](=O)[O-])c(C(=O)OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39
▸ RXRA P19793 2/20 0.38
▸ POLB P06746 3/20 0.38
▸ USP2 O75604 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TDP1 Q9NUW8 1/20 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
▸ KDR P35968 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 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
SCHEMBL23578236 0.85 SIRT6 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL23590704 0.82 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL30184110 0.82 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL30183714 0.81 ALDH1A1 (0.43) ALDH1A1MAPTRECQLSIRT6POLB
SCHEMBL23590845 0.81 ALDH1A1 (0.43) ALDH1A1MAPTRECQLSIRT6POLB
SCHEMBL23577638 0.75 SIRT6 (0.42) ALDH1A1MAPTRECQLSIRT6POLB
SCHEMBL28965731 0.74 SIRT6 (0.39) ALDH1A1MAPTRECQLSIRT6POLB
SCHEMBL29267749 0.74 BRD4 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL25389884 0.73 CYP1A2 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL17433954 0.73 CYP1A2 (0.43) ALDH1A1CYP1A2MAPTRECQLRXRA

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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