SCHEMBL9717235

SCHEMBL9717235

NNc1ccc(-c2ccc(NN)cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HTT P42858 3/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CES1 P23141 1/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL29702837 0.86 TSHR (0.50) MAPTFFAR4MEN1KMT2AHTT
SCHEMBL28165237 0.86 TSHR (0.50) MAPTFFAR4MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL28375819 0.84 TSHR (0.48) MAPTFFAR4MEN1KMT2AHTT
SCHEMBL25244989 0.81 MEN1 (0.56) MAPTMEN1KMT2AHTTTDP1
SCHEMBL7380541 0.81 LMNA (0.56) MAPTMEN1KMT2AHTTMAPK1
SCHEMBL12217636 0.81 ALDH1A1 (0.59) MAPTMEN1KMT2AMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL29009198 0.79 MAPK1 (0.58) MAPTMEN1KMT2AMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL9479110 0.79 ALDH1A1 (0.58) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL12287011 0.78 TDP1 (0.60) MAPTFFAR4MEN1KMT2AMAPK1
SCHEMBL9297681 0.77 GPR35 (0.56) MAPTMEN1KMT2AMAPK1ALDH1A1

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-5091466-A Insolubilization of soluble pre-imidized polyimides by polyhydrazine compounds GENERAL ELECTRIC COMPANY (US) 1992-02-25 US disclosed