SCHEMBL9711486

SCHEMBL9711486

O=C1CCNC(=O)C1C(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HPD P32754 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CTSD P07339 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
NCOA1 Q15788 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40

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
SCHEMBL9711560 0.87 TSHR (0.51) ALDH1A1TDP1KMT2AMEN1HPGD
SCHEMBL9711711 0.82 HPD (0.48) ALDH1A1HPD
SCHEMBL9711516 0.82 HPD (0.48) ALDH1A1HPDKMT2AMEN1HPGD
SCHEMBL9711681 0.82 TSHR (0.41) ALDH1A1HPDKMT2AMEN1HPGD
SCHEMBL9711660 0.82 HPD (0.51) ALDH1A1HPDTDP1
SCHEMBL9711464 0.82 KMT2A (0.50) ALDH1A1HPDKMT2AMEN1L3MBTL1
SCHEMBL7275303 0.81 HPD (0.61) ALDH1A1HPDTDP1KMT2AMEN1
SCHEMBL9711616 0.80 HPD (0.46) ALDH1A1HPDKMT2AMEN1L3MBTL1
SCHEMBL9711602 0.80 HPD (0.46) HPDTDP1KMT2AMEN1
SCHEMBL9711453 0.79 HPD (0.73) ALDH1A1HPDKMT2AMEN1

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