SCHEMBL899218

SCHEMBL899218

Cc1ccccc1-c1cn(Cc2ccccc2)/c(=N\c2ccccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.38
PDE7A Q13946 1/20 0.38
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HPGD P15428 3/20 0.36
CXCR2 P25025 1/20 0.35
MAPK1 P28482 3/20 0.35
HTT P42858 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
HRH1 P35367 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
P2RX7 Q99572 2/20 0.33
TP53 P04637 2/20 0.33
CYP2D6 P10635 2/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
BRD4 O60885 2/20 0.33
CYP1A2 P05177 2/20 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 0.82 PDE4D (0.39) PDE4DPDE7AHDAC8HDAC6HPGD
SCHEMBL899380 0.82 MAPT (0.41) PDE4DPDE7AHDAC8HDAC6HPGD
SCHEMBL899381 0.82 MAPT (0.41) PDE4DPDE7AHDAC8HDAC6HPGD
SCHEMBL898806 0.79 GRM5 (0.34) PDE4DPDE7AHPGDMAPK1GAA
SCHEMBL898805 0.79 GRM5 (0.34) PDE4DPDE7AHPGDMAPK1GAA
SCHEMBL903016 0.77 ALDH1A1 (0.40) HPGDCXCR2MAPK1HTTGAA
SCHEMBL899307 0.76 MAPT (0.46) HPGDMAPK1HTTMAPTSMN1; SMN2
SCHEMBL899306 0.76 MAPT (0.46) HPGDMAPK1HTTMAPTSMN1; SMN2
SCHEMBL10045111 0.72 PDE7A (0.36) PDE4DPDE7AMAPK1GAAMAPT
SCHEMBL898781 0.71 ROCK2 (0.41) PDE4DPDE7AMAPK1SMN1; SMN2NPSR1

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