SCHEMBL6983615

SCHEMBL6983615

O=[C]COc1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.60
GPR174 Q9BXC1 1/20 0.60
EPHX2 P34913 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
EPHX1 P07099 1/20 0.55
TSHR P16473 1/20 0.55
CDK9 P50750 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
NPC1 O15118 4/20 0.51

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
SCHEMBL31054229 0.86 PPARA (0.58) PPARAGPR174EPHX2SMN1; SMN2TP53
SCHEMBL6983832 0.84 RAB9A (0.58) GPR174SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL6973249 0.84 MEN1 (0.68) EPHX2SMN1; SMN2TP53CASP3SENP7
SCHEMBL6984029 0.84 RAB9A (0.72) TSHRCASP3SENP7KMT2AMEN1
SCHEMBL6983738 0.84 MEN1 (0.60) PPARAGPR174SMN1; SMN2CASP3SENP7
SCHEMBL6984539 0.82 GAA (0.72) SMN1; SMN2TP53CASP3SENP7KMT2A
SCHEMBL1305413 0.80 KMT2A (0.75) PPARAGPR174EPHX2SMN1; SMN2TP53
SCHEMBL4104467 0.80 MAPT (0.76) PPARAGPR174SMN1; SMN2TP53KMT2A
SCHEMBL7356599 0.80 KMT2A (0.67) SMN1; SMN2TSHRKMT2AMEN1RAB9A
SCHEMBL7299454 0.80 TP53 (0.68) SMN1; SMN2TP53TSHRMAOAMAOB

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