SCHEMBL6894927

SCHEMBL6894927

CC(O)C(N)C(NCc1ccccc1N)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
HIF1A Q16665 1/20 0.38
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
AOC3 Q16853 1/20 0.36
POLB P06746 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL6890978 0.84 LMNA (0.50) ALDH1A1KDM4ELMNAADRA2AADRA2C
SCHEMBL6895745 0.82 LMNA (0.47) ALDH1A1KDM4ELMNAADRA2AADRA2C
SCHEMBL6892177 0.78 ATM (0.42) ATML3MBTL1CYP2D6POLB
SCHEMBL6895656 0.78 MEN1 (0.64) ALDH1A1ATML3MBTL1MEN1CYP1A2
SCHEMBL6895263 0.77 KDM4E (0.43) ANPEPALDH1A1KDM4ELMNAADRA2A
SCHEMBL6894924 0.77 KDM4E (0.43) ANPEPALDH1A1KDM4ELMNAADRA2A
SCHEMBL6895808 0.77 SMN1; SMN2 (0.57) ALDH1A1KDM4ELMNAMEN1CYP1A2
SCHEMBL6894820 0.76 CYP1A2 (0.60) ALDH1A1KDM4ELMNAATML3MBTL1
SCHEMBL6887798 0.76 GAA (0.45) ALDH1A1KDM4ELMNACYP1A2CYP3A4
SCHEMBL6895074 0.75 HPGD (0.44) ANPEPALDH1A1KDM4ELMNAADRA2A

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