SCHEMBL14232144

SCHEMBL14232144

COc1ccc(CN2Cc3ccc(C(=O)O)cc3C2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
GAA P10253 1/20 0.51
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NAMPT P43490 1/20 0.48
NPC1 O15118 1/20 0.47

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
Lithium SCHEMBL385059 0.99 KDM4E (0.56) KDM4EKMT2AMEN1ALDH1A1TDP1
SCHEMBL385057 0.99 KDM4E (0.56) KDM4EKMT2AMEN1ALDH1A1TDP1
SCHEMBL383102 0.89 KDM4E (0.56) KDM4EKMT2AMEN1ALDH1A1TDP1
Lithium Ion SCHEMBL385058 0.88 KDM4E (0.55) KDM4EKMT2AMEN1ALDH1A1TDP1
SCHEMBL5506172 0.87 KDM4E (0.48) KDM4EKMT2AMEN1ALDH1A1TDP1
SCHEMBL17835591 0.85 KDM4E (0.55) KDM4EKMT2AMEN1ALDH1A1TDP1
SCHEMBL382555 0.83 L3MBTL1 (0.53) KDM4EKMT2AMEN1ALDH1A1TDP1
SCHEMBL12855318 0.81 KDM4E (0.63) KDM4EKMT2AMEN1ALDH1A1TDP1
SCHEMBL10268440 0.80 KDM4E (0.58) KDM4EKMT2AMEN1ALDH1A1TDP1
SCHEMBL10269550 0.80 KDM4E (0.58) KDM4EKMT2AMEN1ALDH1A1TDP1

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
WO-2008044045-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed