SCHEMBL6981174

SCHEMBL6981174

O=[C]COc1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.64
MAPT P10636 8/20 0.51
PDGFRA P16234 1/20 0.51
KDR P35968 1/20 0.51
KMT2A Q03164 5/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 4/20 0.49
POLB P06746 2/20 0.49
ATM Q13315 1/20 0.49
JAK3 P52333 1/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GRIK1 P39086 2/20 0.47
KDM4E B2RXH2 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
P2RY1 P47900 1/20 0.45

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
SCHEMBL6979283 0.88 MAPT (0.56) HRH3MAPTKMT2ARAB9ANPC1
SCHEMBL6973249 0.85 MEN1 (0.68) MAPTKDRKMT2ARAB9ANPC1
SCHEMBL6975401 0.84 HRH3 (0.65) HRH3MAPTPDGFRAKDRKMT2A
SCHEMBL4548129 0.81 MAPT (0.66) HRH3MAPTKMT2ARAB9ANPC1
SCHEMBL31206327 0.81 MAPT (0.66) HRH3MAPTKMT2ARAB9ANPC1
SCHEMBL6983461 0.78 HRH3 (0.61) HRH3MAPTPDGFRAKDRKMT2A
SCHEMBL6983615 0.77 PPARA (0.60) MAPTKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL5471126 0.76 RAB9A (0.65) MAPTKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6974706 0.76 KDR (0.49) MAPTKDRKMT2ARAB9ANPC1
SCHEMBL6983832 0.74 RAB9A (0.58) HRH3MAPTPDGFRAKDRKMT2A

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