SCHEMBL9711609

SCHEMBL9711609

O=C1CC(c2ccccc2)NC(=O)C1C(=O)c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.40
ALDH1A1 P00352 2/20 0.37
NR4A1 P22736 1/20 0.36
CES2 O00748 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPRO Q16827 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL9711509 0.88 HPGD (0.43) HPDALDH1A1
SCHEMBL9711636 0.87 KMT2A (0.41) HPDALDH1A1NR4A1
SCHEMBL9711524 0.86 MAPT (0.42) HPDALDH1A1NR4A1CES2PTPN7
SCHEMBL9711510 0.85 MAPT (0.43) HPDALDH1A1LMNA
SCHEMBL9711506 0.85 HPD (0.61) HPDALDH1A1LMNA
SCHEMBL9711693 0.81 MEN1 (0.42) HPDALDH1A1LMNA
SCHEMBL9711701 0.81 ALDH1A1 (0.43) ALDH1A1
SCHEMBL9711544 0.80 HPD (0.40) HPDALDH1A1LMNA
SCHEMBL9711567 0.78 PDE7A (0.39) HPDALDH1A1LMNA
SCHEMBL9711666 0.78 HPGD (0.45) HPD

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
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed