SCHEMBL6024469

SCHEMBL6024469

CCCCC[C@H](CN(O)C=O)C(=O)N(N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.46
KDR P35968 1/20 0.42
UBE2M P61081 2/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
PDK1 Q15118 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 3/20 0.39
CASR P41180 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR2 P34972 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL6024056 0.83 KDR (0.47) SLC6A3KDRPDK1CASR
SCHEMBL6024296 0.80 BMP1 (0.48) ALDH1A1MAPTMEN1KMT2A
SCHEMBL6024471 0.77 HDAC6 (0.46) ALDH1A1MAPTMEN1KMT2A
SCHEMBL6023388 0.71 BMP1 (0.44)
SCHEMBL6024781 0.71 BMP1 (0.44) ALDH1A1MAPT
SCHEMBL6023546 0.71 BMP1 (0.44) ALDH1A1MAPT
SCHEMBL6024770 0.71 BMP1 (0.44)
SCHEMBL6024289 0.70 BMP1 (0.43) ALDH1A1MEN1KMT2ATP53
SCHEMBL21116148 0.70 LMNA (0.67) KDRPDK1ALDH1A1GAALMNA
SCHEMBL27420134 0.70 LMNA (0.63) KDRPDK1ALDH1A1GAALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363873-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-01-04 EP claimed
EP-1363873-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2003-11-26 EP claimed
WO-2002070541-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2002-09-12 WO claimed