SCHEMBL28664166

SCHEMBL28664166

O=[N+]([O-])C1=C([N+](=O)[O-])CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
CYP19A1 P11511 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL10745831 0.86 TRIM24 (0.32) ALDH1A1
SCHEMBL22052969 0.71 NSD2 (0.32)
SCHEMBL498154 0.69
SCHEMBL498638 0.65
SCHEMBL31709992 0.57 MEN1 (0.86) MEN1KMT2AALDH1A1CA5ACA5B
SCHEMBL136652 0.57
SCHEMBL14916717 0.57 MEN1 (0.86) MEN1KMT2AALDH1A1CA5ACA5B
SCHEMBL9093617 0.57 MEN1 (0.86) MEN1KMT2AALDH1A1CA5ACA5B
SCHEMBL23398193 0.52 MEN1 (0.75) MEN1KMT2AALDH1A1CA5ACA5B
SCHEMBL344814 0.52 MEN1 (0.75) MEN1KMT2AALDH1A1CA5ACA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113735773-A 2, 3-dihydro-1, 2-dinitrocyclobutene oxynitride and preparation method thereof 成都大学 2021-12-03 CN claimed
CN-113666944-A 2-oxa-1, 7-diazabicycloheptane derivatives and preparation method thereof 成都大学 2021-11-19 CN claimed
CN-113735773-B 2, 3-dihydro-1, 2-diazacyclobutene oxynitride and preparation method thereof 成都大学 2023-05-19 CN disclosed
CN-113735773-A 2, 3-dihydro-1, 2-dinitrocyclobutene oxynitride and preparation method thereof 成都大学 2021-12-03 CN disclosed
CN-113735773-A 2, 3-dihydro-1, 2-dinitrocyclobutene oxynitride and preparation method thereof 成都大学 2021-12-03 CN disclosed
CN-113735773-A 2, 3-dihydro-1, 2-dinitrocyclobutene oxynitride and preparation method thereof 成都大学 2021-12-03 CN disclosed
CN-113666944-A 2-oxa-1, 7-diazabicycloheptane derivatives and preparation method thereof 成都大学 2021-11-19 CN disclosed
CN-113666944-A 2-oxa-1, 7-diazabicycloheptane derivatives and preparation method thereof 成都大学 2021-11-19 CN disclosed