SCHEMBL8567371

SCHEMBL8567371

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.55
POLB P06746 3/20 0.43
IGF1R P08069 1/20 0.42
KMT2A Q03164 7/20 0.40
MEN1 O00255 5/20 0.40
C1R P00736 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 2/20 0.40
GAA P10253 1/20 0.40
ELANE P08246 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8569955 0.79 KMT2A (0.42) POLBKMT2AMEN1C1RSMN1; SMN2
SCHEMBL8566013 0.78 C1R (0.41) POLBIGF1RKMT2AMEN1C1R
SCHEMBL3298254 0.77 KMT2A (0.54) POLBKMT2AMEN1C1RSMN1; SMN2
SCHEMBL3956436 0.76 NCF1 (0.51) POLBKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL8566513 0.76 CASP6 (0.44) POLBKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3272390 0.76 MAPT (0.58) BACE1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL29230195 0.74 KMT2A (0.68) POLBIGF1RKMT2AMEN1SMN1; SMN2
SCHEMBL8563242 0.73 IGF1R (0.54) POLBIGF1RKMT2AMEN1C1R
SCHEMBL8563618 0.73 ALDH1A1 (0.59) POLBKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL27504823 0.73 KMT2A (0.40) POLBKMT2AMEN1SMN1; SMN2ALDH1A1

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