SCHEMBL6975401

SCHEMBL6975401

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.65
HTT P42858 1/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MAPT P10636 5/20 0.52
PDGFRA P16234 1/20 0.52
KDR P35968 1/20 0.52
KMT2A Q03164 4/20 0.51
GRIK1 P39086 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.50
JAK3 P52333 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
P2RY1 P47900 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
SCHEMBL6978447 0.88 MAPT (0.60) HRH3HTTNPC1RAB9AMAPT
SCHEMBL6983400 0.84 MEN1 (0.70) NPC1RAB9AMAPTKDRKMT2A
SCHEMBL6981174 0.84 HRH3 (0.64) HRH3NPC1RAB9AL3MBTL1MAPT
SCHEMBL6983461 0.83 HRH3 (0.61) HRH3HTTNPC1RAB9AL3MBTL1
SCHEMBL4548129 0.82 MAPT (0.66) HRH3HTTNPC1RAB9AMAPT
SCHEMBL31206327 0.82 MAPT (0.66) HRH3HTTNPC1RAB9AMAPT
SCHEMBL9303086 0.78 MAPT (0.57) HRH3HTTNPC1RAB9AMAPT
SCHEMBL1305413 0.77 KMT2A (0.75) NPC1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL5471126 0.77 RAB9A (0.65) HTTNPC1RAB9AMAPTKMT2A
SCHEMBL2815550 0.76 RAB9A (0.44) HRH3HTTNPC1RAB9AL3MBTL1

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