SCHEMBL7054551

SCHEMBL7054551

COc1cccc(CNC[C@H](O)[CH]Cc2cccs2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
DNM1 Q05193 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
GFER P55789 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
BCHE P06276 2/20 0.44
CHRM2 P08172 1/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.43
CTSD P07339 1/20 0.42

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
SCHEMBL7048773 0.86 DNM1 (0.54) DNM1MEN1KMT2ALMNAALDH1A1
SCHEMBL7054663 0.83 DNM1 (0.55) DNM1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27593038 0.83 DNM1 (0.55) DNM1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7111374 0.82 HTT (0.52) DNM1MEN1KMT2ALMNAALDH1A1
SCHEMBL7049558 0.82 DNM1 (0.47) DNM1MEN1KMT2ALMNAGAA
SCHEMBL7053301 0.82 LMNA (0.47) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL27649953 0.82 DNM1 (0.44) DNM1MEN1KMT2ALMNAALDH1A1
SCHEMBL7112618 0.81 DNM1 (0.49) DNM1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7053205 0.81 DNM1 (0.49) DNM1MEN1KMT2ABCHECHRM2
SCHEMBL7055848 0.81 DNM1 (0.49) DNM1MEN1KMT2AALDH1A1L3MBTL1

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