SCHEMBL3877971

SCHEMBL3877971

CCCOc1ccc(C=CC(=O)O)cc1C1NC(=O)c2c(C)n[nH]c2N1CCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
AKR1C3 P42330 2/20 0.40
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
ACHE P22303 4/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.35
SNCA P37840 1/20 0.35
RXRA P19793 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL6929185 0.87 NPC1 (0.47) KDM4EKMT2AGAAPOLBMEN1
SCHEMBL7132309 0.86 KDM4E (0.45) KDM4EAKR1C3KMT2AGAAACHE
SCHEMBL8769700 0.82 MAPT (0.39) KDM4EKMT2AGAAPOLBMEN1
SCHEMBL8769913 0.76 KDM4E (0.34) KDM4EAKR1C3KMT2AGAAACHE
SCHEMBL7525311 0.67 KDM4E (0.86) KDM4EAKR1C3KMT2AGAAACHE
SCHEMBL7525306 0.67 KDM4E (0.86) KDM4EAKR1C3KMT2AGAAACHE
SCHEMBL6927520 0.67 MAPT (0.36) KDM4EKMT2AGAAPOLBMEN1
SCHEMBL30977113 0.66 KDM4E (0.73) KDM4EAKR1C3KMT2AGAAACHE
SCHEMBL3694597 0.65 KDM4E (1.00) KDM4EAKR1C3KMT2AGAAACHE
SCHEMBL3694599 0.65 KDM4E (1.00) KDM4EAKR1C3KMT2AGAAACHE

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-1331950-B1 EX VIVO METHODS AND COMPOSITIONS FOR NUCLEIC ACID DELIVERY UNIV JOHNS HOPKINS (US) 2009-10-14 EP disclosed