SCHEMBL8567206

SCHEMBL8567206

N#Cc1cc([N+](=O)[O-])nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
GRM6 O15303 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
MAPT P10636 6/20 0.41
TDP1 Q9NUW8 3/20 0.41
POLB P06746 2/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
APEX1 P27695 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
ABCG2 Q9UNQ0 3/20 0.40

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
SCHEMBL3298254 0.77 KMT2A (0.54) L3MBTL1ALDH1A1MAPTTDP1POLB
SCHEMBL8569955 0.76 KMT2A (0.42) HTTL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL3956436 0.76 NCF1 (0.51) HTTALDH1A1KDM4EMAPTTDP1
SCHEMBL3272390 0.76 MAPT (0.58) HTTL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL8566513 0.76 CASP6 (0.44) HTTL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL8570733 0.73 ALDH1A1 (0.46) HTTALDH1A1KDM4EMAPTTDP1
SCHEMBL27504823 0.73 KMT2A (0.40) HTTALDH1A1KDM4EMAPTTDP1
SCHEMBL8563618 0.73 ALDH1A1 (0.59) L3MBTL1ALDH1A1KDM4EMAPTTDP1
SCHEMBL3295785 0.73 ALDH1A1 (0.52) HTTATML3MBTL1ALDH1A1KDM4E
SCHEMBL8563462 0.72 CTSB (0.50) L3MBTL1ALDH1A1KDM4EGRM6GRIA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed