SCHEMBL9762576

SCHEMBL9762576

O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
LMNA P02545 6/20 0.58
POLB P06746 1/20 0.58
ALDH1A1 P00352 6/20 0.52
MAPT P10636 5/20 0.52
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MITF O75030 1/20 0.52
CCR6 P51684 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 3/20 0.50
TSHR P16473 2/20 0.50
ALOX5 P09917 1/20 0.49
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 2/20 0.47
MLNR O43193 1/20 0.47
MMP1 P03956 1/20 0.47
MPO P05164 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL10901927 0.91 MEN1 (0.68) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL10898568 0.89 LMNA (0.55) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL11512855 0.89 MAPT (0.53) MEN1KMT2ALMNAPOLBALDH1A1
Ammonia Solution, Strong SCHEMBL10414229 0.88 LMNA (0.54) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL11069873 0.86 LMNA (0.61) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL11069871 0.86 LMNA (0.61) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL10902633 0.84 HSPB1 (0.54) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL11649655 0.83 HSPB1 (0.50) MEN1KMT2APOLBALDH1A1MAPT
Trinitrophenol SCHEMBL31588613 0.83 CRHBP (0.57) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL1685023 0.82 KMT2A (0.53) MEN1KMT2ALMNAPOLBALDH1A1

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
US-4990699-A Perfluoroalkylation process ETHYL CORPORATION (US) 1991-02-05 US disclosed
US-4620046-A EXPROSIVE, PROPELLANT DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1986-10-28 US disclosed