SCHEMBL6130342

SCHEMBL6130342

O=C(NNC(=S)Nc1cccc2ccccc12)c1c(O)cccc1O

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
GAA P10253 4/20 0.68
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
MAPT P10636 3/20 0.62
ALOX12 P18054 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
ALPL P05186 1/20 0.60
KDM4E B2RXH2 4/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL28640545 0.80 ALDH1A1 (0.75) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL19277764 0.80 GAA (0.75) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL27817519 0.78 KDM4E (0.56) GAAKMT2AMEN1MAPTKDM4E
SCHEMBL1275812 0.77 KMT2A (0.72) ALDH1A1GAAKMT2AMEN1KDM4E
SCHEMBL28220669 0.74 GAA (0.71) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL28182829 0.74 ALDH1A1 (0.66) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL12060372 0.73 KMT2A (0.50) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL331600 0.73 NPC1 (0.69) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL21972581 0.73 ALDH1A1 (0.64) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL14162005 0.72 MEN1 (0.74) ALDH1A1GAAKMT2AMEN1MAPT

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
EP-1349613-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2005-09-21 EP disclosed
EP-1349613-A2 THROMBOPOIETIN MIMETICS SmithKline Beecham Corporation (US) 2003-10-08 EP disclosed
WO-2002049413-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2002-06-27 WO disclosed