SCHEMBL8066296

SCHEMBL8066296

CNC=C(N(Cc1cccnc1)CC(OC)OC)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KCNA5 P22460 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
OPRD1 P41143 1/20 0.37
NR1D1 P20393 2/20 0.37
NR1H3 Q13133 2/20 0.37
LMNA P02545 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
SCHEMBL7665299 0.80 LMNA (0.48) ALDH1A1KMT2ASMN1; SMN2CHRNB2CHRNA4
SCHEMBL7665506 0.78 KDM4E (0.49) ALDH1A1KMT2ASMN1; SMN2MEN1CHRNB2
SCHEMBL8401947 0.72 CHRNB2 (0.47) ALDH1A1KMT2ASMN1; SMN2MEN1CHRNB2
SCHEMBL7670029 0.69 KMT2A (0.48) ALDH1A1KMT2ASMN1; SMN2MEN1KCNA5
SCHEMBL7668225 0.69 CHRNB2 (0.43) ALDH1A1KMT2ASMN1; SMN2MEN1CHRNB2
SCHEMBL2186007 0.67 CHRNB2 (0.54) ALDH1A1KMT2ASMN1; SMN2MEN1CHRNB2
SCHEMBL7671836 0.67 SMN1; SMN2 (0.43) ALDH1A1KMT2ASMN1; SMN2MEN1KCNA5
SCHEMBL7669029 0.67 CHRNB2 (0.46) ALDH1A1KMT2ASMN1; SMN2MEN1KCNA5
SCHEMBL8066397 0.66 KMT2A (0.47) ALDH1A1KMT2AMEN1KCNA5CHRNB2
SCHEMBL7669280 0.66 CHRNB2 (0.40) ALDH1A1SMN1; SMN2CHRNB2CHRNA4NR1D1

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-6124297-A COMBATTING INSECTS OR MITES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US disclosed