SCHEMBL10045111

SCHEMBL10045111

CCOOCc1ccc(-c2cn(Cc3ccccc3)/c(=N\c3ccccc3)s2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 3/20 0.36
PDE4D Q08499 2/20 0.36
NPSR1 Q6W5P4 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE5A O76074 2/20 0.31
PDE1A P54750 2/20 0.31
PDE1B Q01064 2/20 0.31
PDE1C Q14123 2/20 0.31
PDE3A Q14432 2/20 0.31
F2RL3 Q96RI0 1/20 0.31
MAPK14 Q16539 1/20 0.31
MAPT P10636 3/20 0.30
ALDH2 P05091 1/20 0.30

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
SCHEMBL899436 0.83 PDE4D (0.39) PDE7APDE4DNPSR1MAPK1SMN1; SMN2
SCHEMBL899437 0.83 PDE4D (0.39) PDE7APDE4DNPSR1MAPK1SMN1; SMN2
SCHEMBL899381 0.82 MAPT (0.41) PDE7APDE4DSMN1; SMN2ALDH1A1NPC1
SCHEMBL899306 0.81 MAPT (0.46) NPSR1MAPK1SMN1; SMN2ALDH1A1NPC1
SCHEMBL899307 0.81 MAPT (0.46) NPSR1MAPK1SMN1; SMN2ALDH1A1NPC1
SCHEMBL899582 0.80 SMN1; SMN2 (0.42) PDE7APDE4DNPSR1MAPK1SMN1; SMN2
SCHEMBL899584 0.80 SMN1; SMN2 (0.42) PDE7APDE4DNPSR1MAPK1SMN1; SMN2
SCHEMBL899218 0.72 PDE4D (0.38) PDE7APDE4DNPSR1MAPK1SMN1; SMN2
SCHEMBL903016 0.71 ALDH1A1 (0.40) NPSR1MAPK1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2435561 0.67 TSHR (0.52) NPSR1MAPK1SMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040754-A2 NOVEL THIAZOLAMINE DERIVATES AS DIFFERENTIATION ACCELERATORS TECHNISCHE UNIVERSITÄT WIEN (AT) 2012-04-05 WO disclosed