SCHEMBL30183682

SCHEMBL30183682

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.43
▸ TDP1 Q9NUW8 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
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ NR4A1 P22736 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ WDR5 P61964 1/20 0.35
▸ VCAM1 P19320 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34

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
SCHEMBL23578343 0.86 SIRT6 (0.44) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL23590565 0.83 LMNA (0.33) TDP1HTTALDH1A1KDM4EMAPT
SCHEMBL29267771 0.83 SIRT6 (0.39) SIRT6TDP1PDGFRBFGFR1PDGFRA
Potassium SCHEMBL30034793 0.82 SIRT6 (0.39) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL23577725 0.81 SIRT6 (0.40) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL23591009 0.81 ALDH1A1 (0.40) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL28965721 0.81 ALDH1A1 (0.40) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL30184061 0.80 SIRT6 (0.39) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL23577862 0.80 SIRT6 (0.39) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL24885560 0.80 MAPT (0.35) ALDH1A1MAPTPOLBGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115605476-A Substituted tricyclic compounds 鲁宾有限公司(IN) 2023-01-13 — — CN disclosed
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