SCHEMBL11829181

SCHEMBL11829181

O=C(Oc1cc([N+](=O)[O-])c(OC(=O)C2CC2)cc1[N+](=O)[O-])C1CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ VCAM1 P19320 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL29246356 0.83 SMN1; SMN2 (0.41) KMT2AMEN1RAB9AL3MBTL1MAPT
SCHEMBL25252348 0.83 KMT2A (0.39) KMT2AMEN1RAB9AL3MBTL1MAPT
SCHEMBL9027345 0.81 RAB9A (0.54) KMT2AMEN1RAB9AL3MBTL1MAPT
SCHEMBL10804963 0.80 MEN1 (0.48) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL7331217 0.80 PRSS1 (0.60) MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL8315096 0.79 MAPT (0.51) KMT2AMEN1L3MBTL1MAPTTDP1
SCHEMBL11089907 0.78 MEN1 (0.42) KMT2AMEN1L3MBTL1MAPTSMN1; SMN2
SCHEMBL28448328 0.78 ALDH1A1 (0.52) KMT2AMEN1L3MBTL1MAPTTDP1
SCHEMBL28040759 0.77 MAPT (0.45) KMT2AMEN1RAB9AL3MBTL1MAPT
SCHEMBL7134426 0.76 SMN1; SMN2 (0.49) KMT2AMEN1RAB9AL3MBTL1MAPT

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-3995054-A MITICIDES ZOECON CORPORATION (US) 1976-11-30 — — US disclosed
Send feedback