SCHEMBL11068541

SCHEMBL11068541

O=C(C#[N+][O-])S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 1/20 0.40
HTR6 P50406 1/20 0.38
HTT P42858 2/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MMP2 P08253 2/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL27640914 0.74 PKM (0.47) SMN1; SMN2TSHRHTR6HTTCA1
SCHEMBL7266697 0.69 SMN1; SMN2 (0.55) SMN1; SMN2TSHRHTR6HTTCA1
SCHEMBL3828442 0.69 SMN1; SMN2 (0.55) SMN1; SMN2TSHRHTR6HTTCA1
SCHEMBL9826055 0.69 HTR6 (0.46) SMN1; SMN2TSHRHTR6CA1CA2
Potassium SCHEMBL31612541 0.68 SMN1; SMN2 (0.52) SMN1; SMN2TSHRHTR6HTTCA1
SCHEMBL13924742 0.67 CA2 (0.44) SMN1; SMN2TSHRCA1CA2ALDH1A1
SCHEMBL3245447 0.66 SMN1; SMN2 (0.53) SMN1; SMN2TSHRHTR6HTTCA1
SCHEMBL28235593 0.66 HTT (0.53) SMN1; SMN2TSHRHTR6HTTCA1
SCHEMBL1526740 0.66 SMN1; SMN2 (0.50) SMN1; SMN2TSHRHTR6HTTCA1
SCHEMBL10599045 0.65 SMN1; SMN2 (0.55) SMN1; SMN2TSHRHTR6HTTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4451279-A SAFENERS CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed
US-4449999-A PLANT SAFENING AGENTS; PROTECTIVE COATINGS FOR SEEDS CIBA-GEIGY CORPORATION (US) 1984-05-22 US disclosed
US-4425151-A Sulfur-containing oxime compounds, processes for producing them, and their use for protecting cultivated plants CIBA-GEIGY CORPORATION (US) 1984-01-10 US disclosed
US-4394152-A Sulfur-containing oxime compounds for protecting cultivated plants CIBA-GEIGY CORPORATION (US) 1983-07-19 US disclosed
US-4382893-A PLANT SAFTENING AGENTS CIBA-GEIGY CORPORATION (US) 1983-05-10 US disclosed
US-4278613-A ANTIDOTES CIBA-GEIGY CORPORATION (US) 1981-07-14 US disclosed