SCHEMBL6891363

SCHEMBL6891363

COc1ccc(CCNC(c2ccccc2)[C@H](N)[C@@H](C)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ANPEP P15144 1/20 0.46
ERAP2 Q6P179 1/20 0.46
HAT1 O14929 2/20 0.46
EP300 Q09472 2/20 0.46
BLM P54132 1/20 0.46
ADRB2 P07550 2/20 0.45
ADRB3 P13945 3/20 0.45

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
SCHEMBL6889436 0.88 SIGMAR1 (0.49) SMN1; SMN2ATMSIGMAR1ALDH1A1ANPEP
SCHEMBL6886251 0.87 TDP1 (0.52) KMT2AMEN1SMN1; SMN2KDM4EGAA
SCHEMBL7636221 0.85 POLB (0.50) KMT2AMEN1KDM4EALDH1A1HAT1
SCHEMBL6890175 0.85 CYP1A2 (0.48) KMT2AMEN1HAT1EP300
SCHEMBL6887458 0.80 SIGMAR1 (0.51) KMT2ASIGMAR1
SCHEMBL6895074 0.79 HPGD (0.44) KDM4ETDP1ALDH1A1ANPEP
SCHEMBL15712156 0.77 SIGMAR1 (0.66) KMT2AMEN1SMN1; SMN2KDM4EGAA
SCHEMBL165645 0.77 CASR (0.57) KMT2AMEN1
SCHEMBL4692485 0.77 CASR (0.57) KMT2AMEN1
SCHEMBL6896045 0.76 ALDH1A1 (0.49) KMT2AMEN1SMN1; SMN2KDM4EGAA

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