SCHEMBL4048617

SCHEMBL4048617

CCSNCCCCC(NC(=O)O)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 1/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PTGES O14684 1/20 0.36

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
SCHEMBL2070917 0.81 HDAC1 (0.48) KDM4EALDH1A1
SCHEMBL4048438 0.81 HDAC1 (0.52)
SCHEMBL4932013 0.80 KDM4E (0.55) KDM4EALDH1A1CNR1HPGDSMN1; SMN2
SCHEMBL2346474 0.80 KDM4E (0.55) KDM4EALDH1A1CNR1HPGDSMN1; SMN2
SCHEMBL1927026 0.78 KDM4E (0.49) KDM4EALDH1A1CNR1HPGDSMN1; SMN2
SCHEMBL4048878 0.77 HDAC1 (0.33) ALDH1A1
SCHEMBL4048868 0.77 ADORA3 (0.41) ALDH1A1HPGDSMN1; SMN2
SCHEMBL4055945 0.77 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL4049127 0.72 HDAC1 (0.34)
SCHEMBL4056394 0.70 POLB (0.33)

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-2009026701-A1 SIRTUIN INHIBITORS METHYLGENE INC. (CA) 2009-03-05 WO disclosed