SCHEMBL25210577

SCHEMBL25210577

COc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(C)cc1N=Nc1ccc(N(C)CCCC=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP14 P50281 1/20 0.38
▸ KDR P35968 1/20 0.36
▸ ALDH1A1 P00352 9/20 0.35
▸ CYP1A2 P05177 4/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ MAPT P10636 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL12133415 0.91 MMP14 (0.38) MMP14KDRALDH1A1CYP1A2CYP2D6
SCHEMBL31158285 0.87 MMP14 (0.55) MMP14KDRALDH1A1CYP1A2LMNA
SCHEMBL25717405 0.87 MMP14 (0.46) MMP14KDRALDH1A1CYP1A2CYP2D6
SCHEMBL31672215 0.87 MMP14 (0.55) MMP14KDRALDH1A1CYP1A2LMNA
SCHEMBL1995946 0.87 MMP14 (0.55) MMP14KDRALDH1A1CYP1A2LMNA
SCHEMBL12134558 0.87 MMP14 (0.55) MMP14KDRALDH1A1CYP1A2LMNA
SCHEMBL31158287 0.87 MMP14 (0.55) MMP14KDRALDH1A1CYP1A2LMNA
SCHEMBL25712980 0.85 MMP14 (0.44) MMP14KDRALDH1A1CYP1A2CYP2D6
SCHEMBL20588507 0.84 MMP14 (0.54) MMP14ALDH1A1LMNAMAPTKMT2A
SCHEMBL16908127 0.83 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2D6LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023100158-A9 SUBSTRATES FOR IMAGING GLUCOCEREBROSIDASE ACTIVITY SIMON FRASER UNIVERSITY (CA) 2023-12-07 — — WO claimed
WO-2023100158-A1 SUBSTRATES FOR IMAGING GLUCOCEREBROSIDASE ACTIVITY SIMON FRASER UNIVERSITY (CA) 2023-06-08 — — WO claimed
WO-2023100158-A9 SUBSTRATES FOR IMAGING GLUCOCEREBROSIDASE ACTIVITY SIMON FRASER UNIVERSITY (CA) 2023-12-07 — — WO disclosed
WO-2023100158-A1 SUBSTRATES FOR IMAGING GLUCOCEREBROSIDASE ACTIVITY SIMON FRASER UNIVERSITY (CA) 2023-06-08 — — WO disclosed
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