SCHEMBL6979953

SCHEMBL6979953

Cc1ccccc1NC(=O)Nc1ccc(OC[C]=O)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 3/20 0.57
RAB9A P51151 7/20 0.51
NPC1 O15118 5/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
GAA P10253 1/20 0.49
ALOX5 P09917 2/20 0.48
EPHX2 P34913 2/20 0.48
IMPDH2 P12268 1/20 0.48
HTT P42858 1/20 0.48
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
PDGFRA P16234 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL6974240 0.87 RAB9A (0.54) DDX3XRAB9ANPC1MAPTALDH1A1
SCHEMBL6982728 0.84 DDX3X (0.58) DDX3XRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6983832 0.84 RAB9A (0.58) DDX3XRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL17079628 0.77 MEN1 (0.71) DDX3XRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6974706 0.75 KDR (0.49) DDX3XRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL3774027 0.74 RAB9A (0.58) DDX3XRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1659299 0.74 DDX3X (1.00) DDX3XRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL11918074 0.74 DDX3X (1.00) DDX3XRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6983479 0.73 RAB9A (0.54) DDX3XRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL3460675 0.73 DDX3X (0.69) DDX3XRAB9ANPC1MAPTSMN1; SMN2

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