SCHEMBL21596919

SCHEMBL21596919

COCc1cc2noc(N)c2c(OC)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL21609068 0.78 IDO1 (0.32) HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL21596936 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL21609014 0.69 FLT1 (0.35) HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL21596923 0.69 ELANE (0.35) TYMSKDM4EALDH1A1
SCHEMBL21596945 0.68 LMNA (0.35) TYMSKDM4EALDH1A1
SCHEMBL21596943 0.64 NQO2 (0.41) KDM4EALDH1A1HSD17B10
SCHEMBL21596916 0.61 MLYCD (0.32) ALDH1A1
SCHEMBL21596930 0.61 NQO2 (0.41) KDM4EALDH1A1
SCHEMBL21596938 0.60 LMNA (0.37) ALDH1A1
SCHEMBL2530490 0.57 MAPT (0.37) TYMSKDM4EALDH1A1

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