SCHEMBL6973711

SCHEMBL6973711

CC(C)(C)OC(=O)COc1ccc(NC(=O)Nc2ccccc2Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
HTT P42858 3/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 2/20 0.49
GPR174 Q9BXC1 1/20 0.49
MAPT P10636 4/20 0.48
PKM P14618 4/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
SMN1; SMN2 Q16637 3/20 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
SCHEMBL6975863 0.87 KMT2A (0.53) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL6978535 0.86 MEN1 (0.61) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL6982577 0.83 KMT2A (0.66) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL6983461 0.77 HRH3 (0.61) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL6983738 0.77 MEN1 (0.60) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL6982491 0.76 MAPT (0.52) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL8713627 0.74 PSEN1 (0.55) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL2872598 0.74 EPHX2 (0.69) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL6608349 0.74 ALDH1A1 (0.52) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL2448079 0.73 ALOX15 (0.57) MEN1KMT2ARAB9ANPC1LMNA

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