SCHEMBL5085941

SCHEMBL5085941

COC(=O)c1cccc([AsH]c2ccc(OC)cc2OCCN(C)C)c1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ALDH1A1 P00352 5/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 1/20 0.39
KDR P35968 1/20 0.38
PTPN1 P18031 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
CYP2C19 P33261 2/20 0.37
LMNA P02545 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ACHE P22303 1/20 0.37
SLC6A2 P23975 1/20 0.37
KCNH2 Q12809 1/20 0.37
HSP90AA1 P07900 2/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL5085945 0.86 ALDH1A1 (0.41) MTNR1AMTNR1BALDH1A1ROCK2ROCK1
SCHEMBL5093164 0.84 KDM4E (0.45) MTNR1AALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL1963245 0.81 RXFP1 (0.41) MTNR1AMTNR1BALDH1A1ROCK2ROCK1
SCHEMBL1964674 0.75 KDR (0.44) ALDH1A1KDM4EKDRSMN1; SMN2DRD2
SCHEMBL1962083 0.72 CACNA1B (0.46) ALDH1A1KDM4EHSD17B10SMN1; SMN2LMNA
SCHEMBL7956961 0.71 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2CYP2C19HSP90AA1
SCHEMBL1963248 0.71 CDC25B (0.44) MTNR1AMTNR1BALDH1A1ROCK2KDM4E
SCHEMBL1964231 0.70 HRH3 (0.52) ALDH1A1KDM4EHSD17B10KDRSMN1; SMN2
SCHEMBL1961731 0.70 KDR (0.45) ALDH1A1KDM4EKDRSMN1; SMN2HRH3
SCHEMBL1964172 0.70 BRPF1 (0.47) ALDH1A1KDM4EKDRSMN1; SMN2LMNA

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
EP-1919892-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-05-14 EP disclosed
WO-2007027527-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2007-03-08 WO disclosed