SCHEMBL23578343

SCHEMBL23578343

COC(=O)c1cc2c(cc1[N+](=O)[O-])C(C)(C)C(=O)N2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.44
▸ TDP1 Q9NUW8 3/20 0.41
▸ MPI P34949 1/20 0.41
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 3/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ HSPA9 P38646 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ NR4A1 P22736 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL30183682 0.86 SIRT6 (0.43) SIRT6TDP1MPIHTTALDH1A1
SCHEMBL23591009 0.85 ALDH1A1 (0.40) SIRT6TDP1MPIHTTALDH1A1
SCHEMBL28965721 0.84 ALDH1A1 (0.40) SIRT6TDP1MPIHTTALDH1A1
SCHEMBL23577725 0.82 SIRT6 (0.40) SIRT6TDP1HTTALDH1A1POLB
SCHEMBL28965697 0.82 SIRT6 (0.44) SIRT6TDP1MPIHTTALDH1A1
SCHEMBL29267771 0.82 SIRT6 (0.39) SIRT6TDP1HTTALDH1A1POLB
SCHEMBL23577862 0.81 SIRT6 (0.39) SIRT6TDP1HTTALDH1A1POLB
Potassium SCHEMBL30034793 0.81 SIRT6 (0.39) SIRT6TDP1HTTALDH1A1POLB
SCHEMBL30184061 0.81 SIRT6 (0.39) SIRT6TDP1HTTALDH1A1POLB
SCHEMBL30183710 0.80 SIRT6 (0.40) SIRT6TDP1HTTALDH1A1POLB

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
EP-4081521-A1 SUBSTITUTED TRICYCLIC COMPOUNDS Lupin Limited (IN) 2022-11-02 — — EP disclosed
WO-2021130731-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2021-07-01 — — WO disclosed
Send feedback