SCHEMBL6973229

SCHEMBL6973229

Cc1ccccc1NC(=O)Nc1ccc(OCC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
GPR174 Q9BXC1 1/20 0.59
ITGB1 P05556 3/20 0.57
ITGB3 P05106 2/20 0.57
ITGAV P06756 2/20 0.57
ITGA5 P08648 1/20 0.57
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
ALDH1A1 P00352 1/20 0.56
PTPN7 P35236 1/20 0.56
PTPN12 Q05209 1/20 0.56
HTT P42858 1/20 0.56
HRH3 Q9Y5N1 2/20 0.55
DDX3X O00571 1/20 0.55
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL1305413 0.85 KMT2A (0.75) MAPTNPC1GPR174KMT2AMEN1
SCHEMBL6982577 0.84 KMT2A (0.66) MAPTRAB9ANPC1GPR174KMT2A
SCHEMBL6983400 0.84 MEN1 (0.70) MAPTRAB9ANPC1GPR174KMT2A
SCHEMBL6975863 0.84 KMT2A (0.53) MAPTRAB9ANPC1GPR174ITGB1
SCHEMBL6982728 0.83 DDX3X (0.58) MAPTRAB9ANPC1ITGB1ITGB3
SCHEMBL6983315 0.83 MAPT (0.47) MAPTRAB9ANPC1GPR174ITGB1
SCHEMBL6983832 0.83 RAB9A (0.58) MAPTRAB9ANPC1GPR174KMT2A
SCHEMBL6978447 0.82 MAPT (0.60) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL6979807 0.82 POLB (0.56) RAB9ANPC1ITGB1ITGB3ITGAV
SCHEMBL17079626 0.81 RAB9A (0.73) MAPTRAB9ANPC1KMT2AMEN1

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