SCHEMBL9711516

SCHEMBL9711516

O=C1CCNC(=O)C1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 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
SCHEMBL9711464 0.90 KMT2A (0.50) HPDSMN1; SMN2MEN1PKMKMT2A
SCHEMBL9711540 0.86 HPD (0.49) HPDSMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL9711711 0.85 HPD (0.48) HPDPKMALDH1A1RAB9AMAPT
SCHEMBL9711707 0.85 HPD (0.48) HPDHPGDCYP3A4MEN1PKM
SCHEMBL9711660 0.85 HPD (0.51) HPDALDH1A1MAPT
SCHEMBL9711477 0.85 HPD (0.42) HPDSMN1; SMN2MEN1PKMKMT2A
SCHEMBL9711616 0.83 HPD (0.46) HPDSMN1; SMN2MEN1PKMKMT2A
SCHEMBL9711602 0.83 HPD (0.46) HPDMEN1PKMKMT2ALMNA
SCHEMBL9191354 0.83 HPD (0.67) HPDSMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL9711453 0.82 HPD (0.73) HPDCYP1A2CYP3A4CYP2C19FLT1

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 4 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-0354047-A2 Herbicidal method using atrazine MAY & BAKER LIMITED (GB) 1990-02-07 EP disclosed
EP-0354046-A2 Herbicidal method using bromoxynil MAY & BAKER LIMITED (GB) 1990-02-07 EP disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed