SCHEMBL23590565

SCHEMBL23590565

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MPI P34949 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ HPD P32754 1/20 0.32
▸ GPR174 Q9BXC1 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ MEN1 O00255 1/20 0.30

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 0.83 SIRT6 (0.43) LMNAMAPTMPITDP1GAA
SCHEMBL23591246 0.81 MAPT (0.32) LMNAMAPTHPGDALDH1A1MAPK1
SCHEMBL23577725 0.70 SIRT6 (0.40) LMNAMAPTTDP1GAAHPGD
SCHEMBL23591009 0.70 ALDH1A1 (0.40) LMNAMAPTMPITDP1GAA
SCHEMBL23578343 0.69 SIRT6 (0.44) LMNAMAPTCYP3A4MPITDP1
SCHEMBL28965721 0.69 ALDH1A1 (0.40) LMNAMAPTMPITDP1GAA
SCHEMBL31419414 0.68 CASP1 (0.50) LMNATDP1GAAALDH1A1KMT2A
SCHEMBL3592128 0.68 CASP1 (0.50) LMNATDP1GAAALDH1A1KMT2A
SCHEMBL28816712 0.68 PDK1 (0.42) LMNAHPDHPGDHTTNPSR1
SCHEMBL23591103 0.67 KRAS (0.34) MPITDP1HTT

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
WO-2021130731-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2021-07-01 — — WO disclosed
Send feedback