SCHEMBL8043827

SCHEMBL8043827

CC(C)NC(=O)N1CCC(CN(CC2CCCCC2)c2nc3c(C(C)(C)C)nn(C)c3c(=O)[nH]2)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
CTSS P25774 1/20 0.31
ABCC5 O15440 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
SCHEMBL4122386 0.92 KDM4E (0.36) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4140662 0.88 KDM4E (0.35) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8045132 0.86 KDM4E (0.41) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4127434 0.85 KDM4E (0.35) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3995952 0.83 KDM4E (0.39) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8042867 0.82 KDM4E (0.33) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4128827 0.82 KDM4E (0.39) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8031396 0.81 KDM4E (0.34) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4125816 0.80 GPR119 (0.35) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4139405 0.80 KDM4E (0.34) KDM4ENPSR1ALDH1A1MAPTSMN1; SMN2

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-2009071707-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO disclosed