SCHEMBL4134627

SCHEMBL4134627

Cn1nc(C(C)(C)C)c2nc(N(CCN3CCN(CC(=O)N4CCOCC4)CC3)CC3CCCCC3)[nH]c(=O)c21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 5/20 0.33
CYP3A4 P08684 1/20 0.32
GNRHR P30968 1/20 0.32
CNR2 P34972 1/20 0.31
PDE5A O76074 1/20 0.31
PDE6C P51160 1/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TMEM97 Q5BJF2 5/20 0.31
SIGMAR1 Q99720 2/20 0.31
POLB P06746 1/20 0.31
USP2 O75604 1/20 0.30
CTSS P25774 1/20 0.30
KCNH2 Q12809 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
SCHEMBL4131082 0.92 MAPT (0.34) MAPTALDH1A1KDM4ECNR2PDE5A
SCHEMBL4139405 0.88 KDM4E (0.34) MAPTALDH1A1KDM4ENPSR1POLB
SCHEMBL8034133 0.87 KDM4E (0.36) MAPTALDH1A1KDM4ECYP3A4PDE5A
SCHEMBL4123024 0.86 ALDH1A1 (0.36) MAPTALDH1A1KDM4EPDE5APDE6C
SCHEMBL8042659 0.86 KDM4E (0.37) MAPTALDH1A1KDM4ETSHRNPSR1
SCHEMBL8043252 0.86 KDM4E (0.36) MAPTALDH1A1KDM4EPDE5ANPSR1
SCHEMBL4117716 0.86 SIGMAR1 (0.33) MAPTALDH1A1KDM4ENPSR1SIGMAR1
SCHEMBL8042867 0.85 KDM4E (0.33) MAPTALDH1A1KDM4ENPSR1POLB
SCHEMBL4132580 0.84 KDM4E (0.35) MAPTALDH1A1KDM4ENPSR1POLB
SCHEMBL4127434 0.81 KDM4E (0.35) MAPTALDH1A1KDM4ECNR2NPSR1

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