SCHEMBL25160180

SCHEMBL25160180

CC[C@@H]([C@H](C)OC(=O)CN(C)C)n1ncn(-c2ccc(C)cn2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PANK3 Q9H999 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
SCHEMBL20644408 0.90 MAPT (0.31) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL25160125 0.80 MAPT (0.37) TDP1MAPTKDM4EALDH1A1LMNA
SCHEMBL20644382 0.80 MAPT (0.33) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL20644580 0.78 LMNA (0.33) MAPTLMNAGAA
SCHEMBL20644386 0.78 — —
SCHEMBL20644605 0.75 KDM4E (0.31) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL20644380 0.74 PRMT5 (0.30) —
SCHEMBL20644511 0.71 MAPT (0.33) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL25160279 0.71 MAPT (0.37) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL20644563 0.71 MAPT (0.37) MAPTKDM4EALDH1A1LMNAGAA

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
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 — — EP disclosed
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