SCHEMBL28757447

SCHEMBL28757447

CC(C(=O)C(C)c1cc([N+](=O)[O-])ccc1Br)c1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.41
PTPRC P08575 3/20 0.40
S100A4 P26447 2/20 0.40
MAPK1 P28482 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CES1 P23141 1/20 0.39
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL22866211 0.83 ALDH1A1 (0.44) GAATP53ALDH1A1TDP1CYP3A4
SCHEMBL29607775 0.83 ALDH1A1 (0.44) GAATP53ALDH1A1TDP1CYP3A4
SCHEMBL10477072 0.83 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4MEN1KMT2A
SCHEMBL28789273 0.82 ALDH1A1 (0.51) GAATP53ALDH1A1TDP1MEN1
SCHEMBL27527075 0.82 TDP1 (0.51) GAAALDH1A1TDP1CYP3A4MEN1
SCHEMBL27603190 0.81 ALDH1A1 (0.50) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL16960664 0.80 TDP1 (0.44) ALDH1A1TDP1CYP3A4MEN1KMT2A
SCHEMBL28757448 0.77 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4MEN1KMT2A
SCHEMBL27787683 0.77 HSD17B10 (0.53) GAAALDH1A1TDP1MEN1KMT2A
SCHEMBL19028028 0.76 AKR1C3 (0.44) GAATP53ALDH1A1TDP1CYP3A4

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
CN-1829709-A Bicyclic imidazol derivatives against flaviviridae GENELABS TECH INC (US) 2006-09-06 CN disclosed