SCHEMBL28070439

SCHEMBL28070439

O=C(O)c1cc([N+](=O)[O-])c(Oc2ccc(Oc3c([N+](=O)[O-])cc(C(=O)O)cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
TPMT P51580 1/20 0.58
CASP6 P55212 1/20 0.56
LMNA P02545 4/20 0.54
POLB P06746 1/20 0.54
TSHR P16473 2/20 0.51
SRD5A2 P31213 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 4/20 0.48
ALDH1A1 P00352 2/20 0.48
MITF O75030 1/20 0.48
HTT P42858 1/20 0.48
CCR6 P51684 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPSE Q9Y251 1/20 0.48
HCAR3 P49019 2/20 0.47
HPGD P15428 2/20 0.45
AKR1C3 P42330 1/20 0.45

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
SCHEMBL11542097 0.93 HPSE (0.56) MEN1KMT2ATPMTCASP6LMNA
SCHEMBL8184777 0.92 TPMT (0.62) MEN1KMT2ATPMTCASP6LMNA
SCHEMBL27280423 0.84 LMNA (0.54) MEN1KMT2ATPMTCASP6LMNA
SCHEMBL14879865 0.84 MAPT (0.50) MEN1KMT2ATPMTCASP6LMNA
SCHEMBL29155879 0.81 HPSE (0.48) MEN1KMT2ATPMTCASP6LMNA
SCHEMBL14879694 0.80 HPSE (0.47) MEN1KMT2ATPMTCASP6LMNA
SCHEMBL11547853 0.79 LMNA (0.52) MEN1KMT2ATPMTLMNAPOLB
SCHEMBL572967 0.79 LMNA (0.47) MEN1KMT2ATPMTCASP6LMNA
SCHEMBL11543992 0.79 TPMT (0.54) MEN1KMT2ATPMTLMNATSHR
SCHEMBL11547921 0.79 ALDH1A1 (0.47) MEN1KMT2ATPMTCASP6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105753707-A Synthesis method for 1,4-bis(2,6-binitro-4-formic acid phenoxy)benzene 常州大学 2016-07-13 CN disclosed
CN-105753707-A Synthesis method for 1,4-bis(2,6-binitro-4-formic acid phenoxy)benzene 常州大学 2016-07-13 CN disclosed