SCHEMBL6983738

SCHEMBL6983738

O=[C]COc1ccc(NC(=O)Nc2ccccc2Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.60
KMT2A Q03164 9/20 0.60
RAB9A P51151 8/20 0.60
NPC1 O15118 7/20 0.60
HTT P42858 5/20 0.60
LMNA P02545 4/20 0.60
ALDH1A1 P00352 2/20 0.51
MAPT P10636 7/20 0.50
PKM P14618 4/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
CXCR1 P25024 2/20 0.45
CXCR2 P25025 1/20 0.45
PPARA Q07869 1/20 0.45
GPR174 Q9BXC1 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CASP3 P42574 2/20 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
SCHEMBL6983615 0.84 PPARA (0.60) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL6973249 0.84 MEN1 (0.68) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL6983832 0.84 RAB9A (0.58) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL6982577 0.83 KMT2A (0.66) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL6973711 0.77 MEN1 (0.53) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL8746726 0.76 MEN1 (1.00) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL4119167 0.76 KMT2A (0.63) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL2872598 0.76 EPHX2 (0.69) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL6981174 0.74 HRH3 (0.64) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL13235126 0.74 HTT (0.81) MEN1KMT2ARAB9ANPC1HTT

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