SCHEMBL764134

SCHEMBL764134

COC(=O)/C(=C/c1ccc(Br)o1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 5/20 0.53
GAA P10253 3/20 0.53
LMNA P02545 4/20 0.41
POLB P06746 6/20 0.39
MAPT P10636 5/20 0.39
RECQL P46063 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
BLM P54132 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
APEX1 P27695 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MIF P14174 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL16065053 1.00 KMT2A (0.53) KMT2AALDH1A1MEN1GAALMNA
SCHEMBL5870043 0.82 KMT2A (0.55) KMT2AALDH1A1MEN1GAALMNA
SCHEMBL764136 0.82 KMT2A (0.55) KMT2AALDH1A1MEN1GAALMNA
SCHEMBL5870048 0.82 KMT2A (0.55) KMT2AALDH1A1MEN1GAALMNA
SCHEMBL18828775 0.78 ALDH1A1 (0.38) KMT2AALDH1A1MEN1GAALMNA
SCHEMBL25647571 0.74 MEN1 (0.37) KMT2AALDH1A1MEN1GAALMNA
SCHEMBL762458 0.74 KMT2A (0.54) KMT2AALDH1A1MEN1GAALMNA
SCHEMBL13906650 0.74 LMNA (0.44) KMT2AALDH1A1MEN1GAALMNA
SCHEMBL4883097 0.73 SMN1; SMN2 (0.40) KMT2AALDH1A1MEN1GAALMNA
SCHEMBL8364996 0.73 SMN1; SMN2 (0.40) KMT2AALDH1A1MEN1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed