SCHEMBL13875690

SCHEMBL13875690

Cc1ccc(O)c(CNCCN(CCNCc2nc(C)ccc2O)Cc2nc(C)ccc2O)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
GFER P55789 1/20 0.40
RAB9A P51151 1/20 0.40
ALPL P05186 1/20 0.34
ALPG P10696 1/20 0.34
PLAA Q9Y263 1/20 0.34
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL11403516 0.72 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL17935417 0.72 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL17935215 0.71 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL21074873 0.71 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL17935315 0.71 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10USP2
Hydrochloric Acid SCHEMBL17925947 0.71 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL4565165 0.71 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL17935432 0.69 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10USP2
Emoxypine SCHEMBL195347 0.67 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10USP2
Emoxypine SCHEMBL29362452 0.67 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10USP2

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
US-7521408-B2 Semiconductor cleaning solution INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM ( IMEC) (BE) 2009-04-21 US disclosed