SCHEMBL11364249

SCHEMBL11364249

O=c1n(-c2ccc([N+](=O)[O-])cc2)c(=S)n2n1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 5/20 0.44
SIRT6 Q8N6T7 2/20 0.42
POLB P06746 1/20 0.42
ADRB1 P08588 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL11368069 0.91 MAPT (0.57) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL11364832 0.89 MAPT (0.59) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL11369430 0.88 MAPT (0.62) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL11365363 0.86 MAPT (0.54) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL11368074 0.80 ALDH1A1 (0.47) MAPTALDH1A1POLBGSK3AGSK3B
SCHEMBL11377938 0.78 ALDH1A1 (0.46) MAPTALDH1A1POLBGSK3AGSK3B
SCHEMBL11361458 0.78 POLB (0.40) MAPTALDH1A1POLBGSK3AGSK3B
SCHEMBL11358886 0.78 ALDH1A1 (0.46) MAPTALDH1A1POLBGSK3AGSK3B
SCHEMBL11367809 0.78 ALDH1A1 (0.40) MAPTALDH1A1POLBGSK3AGSK3B
SCHEMBL11366836 0.78 ALDH1A1 (0.41) MAPTALDH1A1POLBGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4249934-A 1,2-Alkylene-4-substituted urazole herbicides MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1981-02-10 US disclosed