SCHEMBL9957767

SCHEMBL9957767

CCOC(=O)c1c(C)nsc1NC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.45
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9957824 0.81 PDE4D (0.47) PDE4DRAB9AALDH1A1MAPK1MAPT
SCHEMBL29295146 0.79 MAPK1 (0.62) PDE4DRAB9AALDH1A1MAPK1MAPT
SCHEMBL3573365 0.78 PDE4D (0.44) PDE4DRAB9AALDH1A1L3MBTL1MAPK1
SCHEMBL11405426 0.78 RAB9A (0.48) PDE4DRAB9AALDH1A1MAPK1MAPT
SCHEMBL2206209 0.77 MAPK1 (0.64) ALDH1A1L3MBTL1MAPK1MAPTKDM4E
SCHEMBL4800541 0.75 FHIT (0.50) ALDH1A1MAPK1MAPTKDM4EGAA
SCHEMBL1527760 0.74 PDE4D (0.53) PDE4DRAB9AALDH1A1L3MBTL1MAPT
SCHEMBL1527674 0.72 ALDH1A1 (0.59) PDE4DRAB9AALDH1A1MAPK1MAPT
SCHEMBL3381063 0.72 PDE4D (0.51) PDE4DRAB9AALDH1A1MAPK1MAPT
SCHEMBL22230710 0.72 PDE4D (0.51) PDE4DRAB9AALDH1A1MAPK1MAPT

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
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed