SCHEMBL7709283

SCHEMBL7709283

CC(=O)Nc1c(Br)cccc1[N+](=O)[O-].COC(=O)C=Cc1cccc([N+](=O)[O-])c1NC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
ALDH1A1 P00352 6/20 0.46
LMNA P02545 4/20 0.46
ATM Q13315 2/20 0.46
HSP90AA1 P07900 1/20 0.46
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
POLB P06746 3/20 0.43
MAPK1 P28482 1/20 0.43
STAT3 P40763 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AR P10275 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7709281 1.00 MAPT (0.46) MAPTALDH1A1LMNAATMHSP90AA1
SCHEMBL7717520 0.93 MEN1 (0.50) MAPTALDH1A1LMNAATMMEN1
SCHEMBL7717517 0.93 MEN1 (0.50) MAPTALDH1A1LMNAATMMEN1
SCHEMBL3412286 0.83 MEN1 (0.50) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL10414500 0.81 MEN1 (0.52) MAPTALDH1A1LMNAATMMEN1
SCHEMBL10414502 0.81 MEN1 (0.52) MAPTALDH1A1LMNAATMMEN1
SCHEMBL7713241 0.80 MAPT (0.40) MAPTALDH1A1LMNAATMMEN1
SCHEMBL23609099 0.77 RAB9A (0.49) MAPTALDH1A1LMNAATMHSP90AA1
SCHEMBL28852575 0.77 RAB9A (0.49) MAPTALDH1A1LMNAATMHSP90AA1
SCHEMBL6677087 0.76 MEN1 (0.71) MAPTALDH1A1LMNAATMMEN1

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-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed