SCHEMBL5136474

SCHEMBL5136474

CC(C)(C)OC(=O)Cn1cc(Br)c(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
AURKA O14965 4/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
NR1D1 P20393 1/20 0.37
PPARG P37231 1/20 0.37
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4309279 0.78 APOBEC3G (0.45) CA12CA1CA2CA9MAPT
SCHEMBL4312071 0.76 MEN1 (0.51) CA12CA1CA2CA9MAPT
SCHEMBL4313628 0.73 ABCC8 (0.41) CA12CA1CA2CA9MAPT
SCHEMBL4325584 0.73 MEN1 (0.44) CA12CA1CA2CA9MAPT
SCHEMBL1875303 0.73 RAB9A (0.73) MAPTRAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4313989 0.72 MAPT (0.48) CA12CA1CA2CA9MAPT
SCHEMBL17055097 0.72 LMNA (0.50) MAPTKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4311736 0.72 MAPT (0.55) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4316738 0.71 AURKA (0.42) CA12CA1CA2CA9MAPT
SCHEMBL4319645 0.71 MAPT (0.48) CA12CA1CA2CA9MAPT

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-1962830-A2 AZAINDOLE INHIBITORS OF AURORA KINASES SmithKline Beecham Corporation (US) 2008-09-03 EP disclosed
WO-2007076348-A2 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed