SCHEMBL11477482

SCHEMBL11477482

N#Cc1ccc(-c2ccc(C#N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.68
MAPT P10636 6/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
POLB P06746 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
GRIA1 P42261 2/20 0.50
GRIA2 P42262 2/20 0.50
GRIA3 P42263 2/20 0.50
GRIA4 P48058 2/20 0.50
GRM6 O15303 1/20 0.50
CYP1A2 P05177 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
APEX1 P27695 1/20 0.49
BLM P54132 1/20 0.49
ALDH1A1 P00352 4/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL11710283 0.91 VCAM1 (0.58) VCAM1MAPTMEN1KMT2APOLB
SCHEMBL8143514 0.82 VCAM1 (0.66) VCAM1MAPTMEN1KMT2APOLB
SCHEMBL82629 0.82 VCAM1 (0.66) VCAM1MAPTPOLBTDP1GRIA1
SCHEMBL16886066 0.81 VCAM1 (0.51) VCAM1MAPTMEN1KMT2APOLB
SCHEMBL404758 0.81 VCAM1 (0.64) VCAM1MAPTPOLBTDP1GRIA1
SCHEMBL404745 0.81 VCAM1 (0.64) VCAM1MAPTMEN1KMT2APOLB
SCHEMBL2418556 0.81 VCAM1 (0.64) VCAM1MAPTKMT2APOLBTDP1
SCHEMBL1343562 0.81 VCAM1 (1.00) VCAM1MAPTPOLBTDP1GRIA1
SCHEMBL2330159 0.81 VCAM1 (0.64) VCAM1MAPTMEN1KMT2APOLB
SCHEMBL11104164 0.81 VCAM1 (0.64) VCAM1MAPTMEN1KMT2APOLB

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
US-4208343-A STARTING MATERIALS FOR CYANO-IMIDE POLYMERS WESTINGHOUSE ELECTRIC CORP. (US) 1980-06-17 US disclosed