SCHEMBL9764683

SCHEMBL9764683

O=c1s/c(=N\c2ccc(Cl)c(O)c2)n2n1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
HSP90AA1 P07900 2/20 0.32
PDE5A O76074 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE1C Q14123 1/20 0.31
PDE3A Q14432 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL9764684 1.00 SMN1; SMN2 (0.34) SMN1; SMN2HSP90AA1PDE5APDE1APDE1B
SCHEMBL9764336 0.84 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1TSHRHSD17B10HPGD
SCHEMBL9764340 0.84 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1TSHRHSD17B10HPGD
SCHEMBL9764378 0.80 NPC1 (0.40) SMN1; SMN2HSP90AA1PDE5APDE1APDE1B
SCHEMBL9764383 0.80 NPC1 (0.40) SMN1; SMN2HSP90AA1PDE5APDE1APDE1B
SCHEMBL9764449 0.78 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1TSHRHSD17B10POLB
SCHEMBL9414261 0.78 TDP1 (0.34) SMN1; SMN2ALDH1A1HSD17B10TDP1THRB
SCHEMBL9764409 0.77 USP2 (0.33) HPGD
SCHEMBL9764406 0.77 USP2 (0.33) HPGD
SCHEMBL9824583 0.75 KMT2A (0.38) SMN1; SMN2ALDH1A1CYP3A4TSHRHSD17B10

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
US-RE33745-E Thiadiazabicyclononane derivatives, processes for their production and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-11-19 US disclosed
EP-0238711-B1 THIADIAZABICYCLONONANE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND HERBIZIDAL COMPOSITIONS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-11-28 EP disclosed
US-4816063-A PLANT GROWTH REGULATORS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-03-28 US disclosed