SCHEMBL5190384

SCHEMBL5190384

CCOC(=O)Cn1c(C)cc2cc(Br)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
KRAS P01116 2/20 0.51
TSHR P16473 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
JAK2 O60674 1/20 0.42
PAK4 O96013 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL18733433 0.85 TSHR (0.57) KRASTSHRALDH1A1MEN1KMT2A
SCHEMBL4478554 0.84 ALDH1A1 (0.57) RAB9ATSHRALDH1A1MEN1KMT2A
SCHEMBL3785882 0.84 KDM4E (0.51) RAB9ATSHRALDH1A1MEN1KMT2A
SCHEMBL1598783 0.83 ALDH1A1 (0.56) RAB9ATSHRALDH1A1MEN1KMT2A
SCHEMBL10277241 0.83 RAB9A (0.53) RAB9ATSHRALDH1A1MEN1KMT2A
SCHEMBL20037044 0.83 TDP1 (0.65) RAB9ATSHRALDH1A1MAPK1TDP1
SCHEMBL20786953 0.83 KDM4E (0.55) RAB9ATSHRALDH1A1MEN1KMT2A
SCHEMBL4465081 0.82 MAPT (0.57) RAB9ATSHRALDH1A1MEN1KMT2A
SCHEMBL1779695 0.81 RAB9A (0.68) RAB9ATSHRALDH1A1MEN1KMT2A
SCHEMBL411401 0.81 TSPO (0.58) RAB9ATSHRALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838302-A2 PEPTIDE DEFORMYLASE INHIBITORS, THEIR USE, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME The Centre National de la Recherche Scientifique (FR) 2007-10-03 EP disclosed
WO-2006077139-A2 PEPTIDE DEFORMYLASE INHIBITORS, THEIR USE, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-07-27 WO disclosed