SCHEMBL6887798

SCHEMBL6887798

CC(O)C(N)C(NCc1ccncc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
AKT1 P31749 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6895745 0.90 LMNA (0.47) LMNAALDH1A1MAPK1HTTNPSR1
SCHEMBL6895808 0.84 SMN1; SMN2 (0.57) LMNAALDH1A1MAPK1HTTNPSR1
SCHEMBL6894820 0.83 CYP1A2 (0.60) LMNAALDH1A1CYP3A4MAPK1HTT
SCHEMBL6895924 0.83 ALDH1A1 (0.48) LMNAALDH1A1MAPK1HTTNPSR1
SCHEMBL6886251 0.81 TDP1 (0.52) GAALMNAALDH1A1MAPK1HTT
SCHEMBL3652500 0.81 LMNA (0.35) LMNAALDH1A1MAPK1HTTNPSR1
SCHEMBL3641583 0.80 CYP1A2 (0.41) LMNAALDH1A1CYP3A4MAPK1HTT
SCHEMBL3641975 0.80 CYP2C9 (0.39) LMNAALDH1A1MAPK1HTTNPSR1
SCHEMBL6892044 0.80 LMNA (0.38) LMNAALDH1A1MAPK1HTTNPSR1
SCHEMBL3649450 0.80 TACR1 (0.46) LMNAALDH1A1CYP3A4MAPK1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed