SCHEMBL9764217

SCHEMBL9764217

S=C(Nc1ccc(Cl)cc1)N1CCCCN1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 5/20 0.60
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL11668917 0.83 LMNA (0.49) SMN1; SMN2LMNANPC1RAB9AKMT2A
SCHEMBL4449787 0.78 LMNA (0.50) SMN1; SMN2LMNANPC1RAB9AKMT2A
SCHEMBL9376853 0.73 MAPT (0.36) SMN1; SMN2LMNAHTTNPSR1NPC1
SCHEMBL9824016 0.71 ALDH1A1 (0.38) SMN1; SMN2LMNANPSR1RAB9AKMT2A
SCHEMBL10671305 0.68 KMT2A (0.62) SMN1; SMN2HTTPOLBNPC1RAB9A
SCHEMBL9419236 0.67 RAB9A (0.35) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL6109583 0.67 POLB (0.59) SMN1; SMN2LMNANPSR1CYP2C19POLB
SCHEMBL14119932 0.67 LMNA (1.00) SMN1; SMN2LMNAHTTNPSR1POLB
SCHEMBL11360021 0.67 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTNPSR1CYP2C19
SCHEMBL316088 0.67 POLB (0.60) SMN1; SMN2LMNAHTTNPSR1POLB

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 5 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
EP-0238711-A1 Thiadiazabicyclononane derivatives, processes for their production and herbizidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-09-30 EP disclosed
US-4249934-A 1,2-Alkylene-4-substituted urazole herbicides MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1981-02-10 US disclosed