SCHEMBL6179714

SCHEMBL6179714

O=C1Nc2cc(I)cc(Br)c2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 9/20 0.44
TGM2 P21980 6/20 0.43
BCHE P06276 1/20 0.41
RAF1 P04049 3/20 0.33
MAP1LC3B Q9GZQ8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
ALDH3A1 P30838 1/20 0.33
EGFR P00533 1/20 0.33
NTRK1 P04629 1/20 0.33
ARAF P10398 1/20 0.33
PIM1 P11309 1/20 0.33
BRAF P15056 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PIM3 Q86V86 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
MYOC Q99972 1/20 0.33
DYRK4 Q9NR20 1/20 0.33
SIRT3 Q9NTG7 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
SCHEMBL15242441 0.80 CES1 (0.47) CES1TGM2BCHEALDH1A1ALDH2
SCHEMBL6176815 0.77 CES1 (0.69) CES1TGM2BCHEMAOAMAOB
SCHEMBL16419647 0.77 CES1 (0.44) CES1TGM2BCHEALDH1A1ALDH2
SCHEMBL31353351 0.77 ALDH1A1 (0.53) CES1TGM2BCHEALDH1A1ALDH2
SCHEMBL22939438 0.74 CES1 (0.42) CES1TGM2BCHERAF1MAP1LC3B
SCHEMBL3726368 0.73 CES1 (0.41) CES1TGM2
SCHEMBL31381684 0.73 CES1 (0.41) CES1TGM2
SCHEMBL8574395 0.73 CES1 (0.41) CES1TGM2BCHEALDH1A1ALDH2
SCHEMBL6178034 0.71 CES1 (0.66) CES1TGM2BCHEMAOAMAOB
SCHEMBL22938881 0.68 AURKA (0.43) CES1BCHERAF1ALDH1A1LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105376-B1 OXINDOLE DERIVATIVES AS GROWTH HORMONE RELEASERS SUMITOMO PHARMA (JP) 2005-02-09 EP disclosed
CN-1161333-C Oxindole derivatives as growth hormone releasers ס����ҩ��ʽ���� 2004-08-11 CN disclosed
US-6576656-B1 Such as 1-(2-diethylaminoethyl)-4-trifluoromethyl-6-carbamoyl-3-hydroxy-3-(2 -chlorophenyl)oxindole; growth hormone releaser SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2003-06-10 US disclosed
CN-1313853-A Oxindole derivatives as growth hormone releasers SUMITOMO PHARMA (JP) 2001-09-19 CN disclosed
EP-1105376-A1 OXINDOLE DERIVATIVES AS GROWTH HORMONE RELEASERS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-06-13 EP disclosed
WO-2000010975-A1 OXINDOLE DERIVATIVES AS GROWTH HORMONE RELEASERS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2000-03-02 WO disclosed