SCHEMBL8566013

SCHEMBL8566013

O=[N+]([O-])c1cc(OC(F)(F)F)c2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.41
IGF1R P08069 2/20 0.40
KMT2A Q03164 8/20 0.38
MEN1 O00255 6/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 2/20 0.37
GAA P10253 1/20 0.37
ACP1 P24666 1/20 0.37
MAPT P10636 5/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HDAC3 O15379 1/20 0.36
APP P05067 1/20 0.36
ACHE P22303 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
SCHEMBL8564430 0.80 KMT2A (0.40) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL8567371 0.78 BACE1 (0.55) C1RIGF1RKMT2AMEN1POLB
SCHEMBL8561607 0.76 MAPT (0.47) KMT2AMEN1POLBSMN1; SMN2MAPT
SCHEMBL8560946 0.74 MEN1 (0.43) C1RIGF1RKMT2AMEN1POLB
SCHEMBL8564150 0.74 NCF1 (0.47) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL3298254 0.73 KMT2A (0.54) C1RKMT2AMEN1POLBALDH1A1
SCHEMBL8597322 0.73 NCF1 (0.48) ALDH1A1SMN1; SMN2GAAMAPTRAB9A
SCHEMBL3956436 0.72 NCF1 (0.51) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL8566513 0.72 CASP6 (0.44) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL8569955 0.72 KMT2A (0.42) C1RKMT2AMEN1POLBALDH1A1

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