SCHEMBL8926455

SCHEMBL8926455

COC(=O)C(Br)(Br)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.65
ALDH1A1 P00352 2/20 0.65
CYP2C19 P33261 2/20 0.53
RECQL P46063 2/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GSK3B P49841 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.44
CES1 P23141 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3528826 0.83 ALDH1A1 (0.65) POLBALDH1A1CYP2C19RECQLMEN1
SCHEMBL429356 0.83 ALDH1A1 (0.65) POLBALDH1A1CYP2C19RECQLMEN1
SCHEMBL8924832 0.81 ALDH1A1 (0.63) POLBALDH1A1CYP2C19RECQLMEN1
SCHEMBL10965695 0.81 ALDH1A1 (0.63) POLBALDH1A1CYP2C19RECQLMEN1
SCHEMBL8801283 0.81 POLB (0.63) POLBALDH1A1CYP2C19RECQLMEN1
SCHEMBL7717482 0.80 POLB (0.61) POLBALDH1A1CYP2C19RECQLMEN1
SCHEMBL13172617 0.79 ALDH1A1 (0.60) POLBALDH1A1CYP2C19RECQLMEN1
SCHEMBL27890350 0.79 ALDH1A1 (0.60) POLBALDH1A1CYP2C19RECQLMEN1
SCHEMBL22838071 0.79 POLB (0.73) POLBALDH1A1CYP2C19RECQLMAPT
SCHEMBL9778344 0.78 POLB (0.58) POLBALDH1A1CYP2C19RECQLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663371-A Process for preparing polycyclic dyes ZENECA LIMITED (GB) 1997-09-02 US disclosed
EP-0673400-A1 POLYCYCLIC DYES BASF AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed
WO-1994012577-A2 POLYCYCLIC DYES ZENECA LIMITED (GB) 1994-06-09 WO disclosed