SCHEMBL29896186

SCHEMBL29896186

O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MGLL Q99685 2/20 0.55
FAAH O00519 1/20 0.55
TP53 P04637 1/20 0.54
AKR1C3 P42330 1/20 0.52
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.50
MTOR P42345 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL29896187 1.00 MEN1 (0.56) MEN1KMT2AMGLLFAAHTP53
SCHEMBL19306584 1.00 MEN1 (0.56) MEN1KMT2AMGLLFAAHTP53
SCHEMBL19306610 0.87 MAPT (0.59) MEN1KMT2AMGLLFAAHKDM4E
SCHEMBL29896183 0.87 MAPT (0.59) MEN1KMT2AMGLLFAAHKDM4E
SCHEMBL29896191 0.85 MEN1 (0.58) MEN1KMT2AMGLLFAAHKDM4E
SCHEMBL19306585 0.85 MEN1 (0.58) MEN1KMT2AMGLLFAAHKDM4E
SCHEMBL21689064 0.85 MEN1 (0.53) MEN1KMT2AKDM4EGAANPC1
SCHEMBL1115881 0.80 CYP1A2 (0.64) MEN1KMT2AMGLLAKR1C3KDM4E
SCHEMBL4599121 0.78 ALDH1A1 (0.65) MEN1KMT2AMGLLKDM4ESMN1; SMN2
SCHEMBL9760661 0.77 MAPT (0.77) MEN1KMT2AMGLLFAAHKDM4E

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
CN-115227685-A DNP and DNP prodrug treatment of diseases 米托充制药公司 2022-10-25 CN disclosed