SCHEMBL899582

SCHEMBL899582

Fc1ccc(-c2cn(Cc3ccccc3)/c(=N\c3ccccc3)s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 1/20 0.42
PTGS2 P35354 1/20 0.40
PDE7A Q13946 3/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PDE4D Q08499 1/20 0.38
CNR2 P34972 2/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CNR1 P21554 1/20 0.35
SERPINE1 P05121 1/20 0.35

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
SCHEMBL899584 1.00 SMN1; SMN2 (0.42) SMN1; SMN2LMNAPOLBNPSR1MAPK1
SCHEMBL899436 0.90 PDE4D (0.39) SMN1; SMN2LMNANPSR1MAPK1PDE7A
SCHEMBL899437 0.90 PDE4D (0.39) SMN1; SMN2LMNANPSR1MAPK1PDE7A
SCHEMBL899307 0.84 MAPT (0.46) SMN1; SMN2LMNANPSR1MAPK1CYP11B1
SCHEMBL899306 0.84 MAPT (0.46) SMN1; SMN2LMNANPSR1MAPK1CYP11B1
SCHEMBL898781 0.81 ROCK2 (0.41) SMN1; SMN2LMNAPOLBNPSR1MAPK1
SCHEMBL10045111 0.80 PDE7A (0.36) SMN1; SMN2NPSR1MAPK1PDE7APDE1A
SCHEMBL903016 0.77 ALDH1A1 (0.40) SMN1; SMN2LMNANPSR1MAPK1PTGS2
SCHEMBL898806 0.77 GRM5 (0.34) SMN1; SMN2NPSR1MAPK1PDE7APDE4D
SCHEMBL898805 0.77 GRM5 (0.34) SMN1; SMN2NPSR1MAPK1PDE7APDE4D

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