SCHEMBL10876641

SCHEMBL10876641

CC(=O)Nc1ccc(SP(N)(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.51
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 3/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
BRD4 O60885 1/20 0.50
NR1I2 O75469 1/20 0.50
MB P02144 1/20 0.50
CYP1A1 P04798 1/20 0.50
CA3 P07451 1/20 0.50
CYP3A4 P08684 1/20 0.50
RARG P13631 1/20 0.50

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
SCHEMBL10933206 0.84 SMN1; SMN2 (0.50) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL11297174 0.78 MEN1 (0.54) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL19672881 0.77 SMN1; SMN2 (0.59) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL5026270 0.77 SMN1; SMN2 (0.64) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL3959278 0.77 SMN1; SMN2 (0.64) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL861674 0.76 SMN1; SMN2 (0.84) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL3074944 0.75 ALDH1A1 (0.70) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL21291520 0.73 SMN1; SMN2 (0.59) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL20850583 0.73 SMN1; SMN2 (0.59) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL5026275 0.73 SMN1; SMN2 (0.59) SMN1; SMN2HTTL3MBTL1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0119495-B1 S-ARYL AND S-ALIPHATIC DIAMIDOPHOSPHOROTHIOLATES AS UREASE INHIBITORS AND UREASE INHIBITED UREA BASED FERTILIZER COMPOSITIONS ALLIED CORPORATION (US) 1986-07-02 EP disclosed
US-4537614-A PLANT GROWTH REGULATORS ALLIED CORPORATION (US) 1985-08-27 US disclosed
EP-0119495-A1 S-aryl and S-aliphatic diamidophosphorothiolates as urease inhibitors and urease inhibited urea based fertilizer compositions ALLIED CORPORATION (US) 1984-09-26 EP disclosed