SCHEMBL11364832

SCHEMBL11364832

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
ALDH1A1 P00352 4/20 0.47
SIRT6 Q8N6T7 2/20 0.47
POLB P06746 1/20 0.47
ADRB1 P08588 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
LMNA P02545 3/20 0.46
HRH3 Q9Y5N1 1/20 0.45
SCN2A Q99250 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL11369430 0.98 MAPT (0.62) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL11365363 0.97 MAPT (0.54) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL11364249 0.89 MAPT (0.51) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL9187712 0.83 GSK3A (0.56) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL11368069 0.81 MAPT (0.57) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL378458 0.76 MAPT (0.96) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL11358737 0.76 ALDH1A1 (0.59) ALDH1A1POLBGSK3AGSK3BLMNA
SCHEMBL11362160 0.74 ALDH1A1 (0.49) MAPTALDH1A1GSK3AGSK3BLMNA
SCHEMBL223626 0.74 MAPT (1.00) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL11362307 0.74 ALDH1A1 (0.49) ALDH1A1GSK3AGSK3BLMNAHRH3

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