SCHEMBL899437

SCHEMBL899437

c1ccc(Cn2cc(-c3ccccc3)sc2=Nc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.39
PDE7A Q13946 2/20 0.39
CYP19A1 P11511 2/20 0.36
IDO1 P14902 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 3/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
TP53 P04637 1/20 0.33
PDE5A O76074 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33

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 1.00 PDE4D (0.39) PDE4DPDE7ACYP19A1IDO1CYP11B1
SCHEMBL899582 0.90 SMN1; SMN2 (0.42) PDE4DPDE7ACYP11B1CYP11B2SMN1; SMN2
SCHEMBL899584 0.90 SMN1; SMN2 (0.42) PDE4DPDE7ACYP11B1CYP11B2SMN1; SMN2
SCHEMBL899307 0.87 MAPT (0.46) CYP11B1CYP11B2SMN1; SMN2LMNAMAPT
SCHEMBL899306 0.87 MAPT (0.46) CYP11B1CYP11B2SMN1; SMN2LMNAMAPT
SCHEMBL899463 0.85 LMNA (0.43) SMN1; SMN2LMNAGAAMAPK1KDM4E
SCHEMBL10045111 0.83 PDE7A (0.36) PDE4DPDE7ASMN1; SMN2GAAMAPT
SCHEMBL903016 0.83 ALDH1A1 (0.40) SMN1; SMN2LMNAGAAMAPTMAPK1
SCHEMBL898781 0.81 ROCK2 (0.41) PDE4DPDE7ASMN1; SMN2LMNAMAPK1
SCHEMBL898780 0.81 ROCK2 (0.41) PDE4DPDE7ASMN1; SMN2LMNAMAPK1

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-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