SCHEMBL5323314

SCHEMBL5323314

Cc1cc(OC[C@H](O)C(C)(C)O)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 3/20 0.43
GLA P06280 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 2/20 0.37
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
CA9 Q16790 1/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL5327068 1.00 KMT2A (0.44) KMT2ASMN1; SMN2KDM4EGLAALDH1A1
SCHEMBL5450968 0.78 TSHR (0.54) KMT2ASMN1; SMN2KDM4EHTTMEN1
SCHEMBL5323319 0.78 HTT (0.38) KMT2ASMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL5323320 0.76 MAPT (0.50) KMT2ASMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL5329373 0.76 MAPT (0.50) KMT2ASMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL20898212 0.76 MAPT (0.50) KMT2ASMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL20526919 0.76 KMT2A (0.43) KMT2ASMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL8180147 0.74 NPC1 (0.47) KMT2ASMN1; SMN2ALDH1A1HSD17B10HTT
SCHEMBL5325359 0.74 KDM4E (0.41) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL5323891 0.74 KDM4E (0.41) KDM4EGLAALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007121415-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 WO disclosed
WO-2007121415-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 WO disclosed