SCHEMBL9400705

SCHEMBL9400705

C=C(CNc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
KMT2A Q03164 3/20 0.50
KAT2B Q92831 2/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 5/20 0.49
MAPK1 P28482 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CASP7 P55210 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
IDO1 P14902 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL10225876 0.83 RAB9A (0.58) MAPTRAB9ANPC1KMT2AKAT2B
SCHEMBL124292 0.81 MEN1 (0.60) MAPTRAB9ANPC1KMT2AKAT2B
Hydrochloric Acid SCHEMBL6032002 0.81 MEN1 (0.60) MAPTRAB9ANPC1KMT2AKAT2B
SCHEMBL1086052 0.76 KMT2A (0.58) MAPTRAB9ANPC1KMT2AKAT2B
SCHEMBL29516821 0.75 KAT2B (0.64) MAPTRAB9ANPC1KMT2AKAT2B
SCHEMBL6198859 0.75 KAT2B (0.80) MAPTRAB9ANPC1KMT2AKAT2B
SCHEMBL9781715 0.75 KAT2B (0.64) MAPTRAB9ANPC1KMT2AKAT2B
SCHEMBL4837897 0.74 KMT2A (0.55) MAPTRAB9ANPC1KMT2AKAT2B
SCHEMBL9983928 0.74 KMT2A (0.59) MAPTRAB9ANPC1KMT2AKAT2B
SCHEMBL4143060 0.74 KAT2B (0.55) MAPTRAB9ANPC1KMT2AKAT2B

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-6043511-A None JP disclosed
JP-H0643511-A OPTICAL WAVEGUIDE HAVING POLARIZATION INVERSION STRUCTURE AND ITS PRODUCTION AS WELL AS DEVICE FOR IMPARTING POLARIZATION INVERSION STRUCTURE TO OPTICAL WAVEGUIDE MIYATA SEIZO 1994-02-18 JP disclosed