SCHEMBL9616082

SCHEMBL9616082

O=[N+]([O-])N(NO)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ATM Q13315 2/20 0.42
TLR9 Q9NR96 2/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
RAB9A P51151 1/20 0.41
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 2/20 0.39
S1PR4 O95977 1/20 0.39
HSP90AA1 P07900 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
CCR6 P51684 1/20 0.39
FBP1 P09467 2/20 0.36
PRMT1 Q99873 1/20 0.36

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
SCHEMBL29026131 0.98 ALDH1A1 (0.41) ALDH1A1L3MBTL1MEN1KMT2AATM
SCHEMBL9872833 0.82 ATM (0.44) ALDH1A1L3MBTL1MEN1KMT2AATM
SCHEMBL2937030 0.80 ALDH1A1 (0.41) ALDH1A1L3MBTL1MEN1KMT2AATM
SCHEMBL4104914 0.80 ALDH1A1 (0.37) ALDH1A1L3MBTL1MEN1KMT2AATM
SCHEMBL38002 0.79 ALDH1A1 (0.42) ALDH1A1L3MBTL1MEN1KMT2AATM
Methyl Alcohol SCHEMBL27709287 0.79 ATM (0.41) ALDH1A1L3MBTL1MEN1KMT2AATM
Hydrochloric Acid SCHEMBL176982 0.78 ALDH1A1 (0.41) ALDH1A1L3MBTL1MEN1KMT2AATM
Hydrochloric Acid SCHEMBL11383310 0.78 MEN1 (0.41) ALDH1A1L3MBTL1MEN1KMT2AATM
Formaldehyde SCHEMBL2941056 0.76 ALDH1A1 (0.40) ALDH1A1L3MBTL1MEN1KMT2AATM
SCHEMBL10535478 0.76 ALDH1A1 (0.40) ALDH1A1L3MBTL1MEN1KMT2AATM

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
JP-4188118-A None JP disclosed
JP-H04188118-A NONLINEAR OPTICAL MATERIAL MATSUSHITA ELECTRIC IND CO LTD 1992-07-06 JP disclosed