SCHEMBL9711550

SCHEMBL9711550

CN1CC(C)(C)C(=O)C(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1=O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
ALDH3A1 P30838 4/20 0.38
HPD P32754 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL9711511 0.85 SMN1; SMN2 (0.43) ALDH1A1HPDNPC1RAB9ASMN1; SMN2
SCHEMBL9711688 0.82 HPD (0.60) ALDH1A1HPDMEN1KMT2AMAPT
SCHEMBL909773 0.82 HPD (0.45) ALDH1A1ALDH3A1HPDMEN1KMT2A
SCHEMBL10392939 0.80 HPD (0.39) ALDH1A1ALDH3A1HPDMEN1KMT2A
SCHEMBL9134511 0.78 HPD (0.47) ALDH1A1ALDH3A1HPDMEN1KMT2A
Mesotrione SCHEMBL22116 0.76 HPD (0.62) ALDH1A1ALDH3A1HPDMEN1KMT2A
Mesotrione SCHEMBL4895947 0.76 HPD (0.62) ALDH1A1ALDH3A1HPDMEN1KMT2A
Mesotrione SCHEMBL29352201 0.76 HPD (0.62) ALDH1A1ALDH3A1HPDMEN1KMT2A
SCHEMBL10338036 0.76 HPD (0.41) ALDH1A1ALDH3A1HPDMEN1KMT2A
SCHEMBL31388687 0.76 ALDH1A1 (0.41) ALDH1A1ALDH3A1HPDMEN1KMT2A

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