SCHEMBL21596945

SCHEMBL21596945

COCc1cc2noc(N)c2cc1C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TYMS P04818 1/20 0.34
KCNA2 P16389 1/20 0.31
KCNA1 Q09470 1/20 0.31

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
SCHEMBL21596869 0.75 LMNA (0.38) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL21596938 0.73 LMNA (0.37) LMNAALDH1A1
SCHEMBL9505644 0.69 ALDH1A1 (0.43) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL21596919 0.68 TYMS (0.32) KDM4EALDH1A1TYMS
SCHEMBL21596923 0.67 ELANE (0.35) LMNAKDM4EALDH1A1TYMS
SCHEMBL10793829 0.67 ALDH1A1 (0.41) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL29589613 0.65 ALDH1A1 (0.48) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL27309614 0.65 ALDH1A1 (0.48) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL3194453 0.65 ALDH1A1 (0.40) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL21596925 0.64 DYRK1A (0.44) LMNAKDM4EALDH1A1HPGDTYMS

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-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 EP disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed