SCHEMBL6984539

SCHEMBL6984539

O=[C]COc1ccc(NC(=O)Nc2cccs2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 17/20 0.72
MAPT P10636 15/20 0.72
MEN1 O00255 13/20 0.72
KMT2A Q03164 13/20 0.72
RAB9A P51151 10/20 0.72
NPC1 O15118 8/20 0.72
SMN1; SMN2 Q16637 7/20 0.72
ALOX15 P16050 10/20 0.58
HSD17B10 Q99714 9/20 0.58
TP53 P04637 7/20 0.58
GFER P55789 1/20 0.58
HTT P42858 7/20 0.58
USP2 O75604 2/20 0.58
POLB P06746 2/20 0.58
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPK1 P28482 3/20 0.51
CASP7 P55210 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL6983615 0.82 PPARA (0.60) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL12204416 0.78 MAPT (0.67) GAAMAPTMEN1KMT2ARAB9A
SCHEMBL11968855 0.75 GAA (0.73) GAAMAPTMEN1KMT2ARAB9A
SCHEMBL9547640 0.74 GAA (0.72) GAAMAPTMEN1KMT2ARAB9A
SCHEMBL11968803 0.74 GAA (0.71) GAAMAPTMEN1KMT2ARAB9A
SCHEMBL6983738 0.74 MEN1 (0.60) GAAMAPTMEN1KMT2ARAB9A
SCHEMBL6984029 0.74 RAB9A (0.72) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL6973249 0.74 MEN1 (0.68) GAAMAPTMEN1KMT2ARAB9A
SCHEMBL6983832 0.74 RAB9A (0.58) GAAMAPTMEN1KMT2ARAB9A
SCHEMBL7748507 0.72 GAA (0.64) GAAMAPTMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030835-B1 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LTD (GB) 2003-01-22 EP disclosed
US-6344570-B1 ANTISTICKING AGENTS FOR CELLS ASTRAZENECA UK LIMITED (GB) 2002-02-05 US disclosed
EP-1030835-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca UK Limited (GB) 2000-08-30 EP disclosed
WO-1999024398-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-05-20 WO disclosed