SCHEMBL8562469

SCHEMBL8562469

Nc1nccc(OC(F)(F)F)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
LMNA P02545 3/20 0.37
NOD2 Q9HC29 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MGMT P16455 2/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL14764478 0.80 MEN1 (0.54) MAPTSMN1; SMN2ALDH1A1TP53HTT
SCHEMBL29871162 0.80 MEN1 (0.54) MAPTSMN1; SMN2ALDH1A1TP53HTT
SCHEMBL8568195 0.78 KMT2A (0.36) MAPTALDH1A1HTTKDM4EADORA2A
SCHEMBL8567775 0.78 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1TP53HTT
SCHEMBL8565404 0.76 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1TP53HTT
SCHEMBL8559928 0.75 MAPT (0.40) MAPTSMN1; SMN2ALDH1A1TP53HTT
SCHEMBL7082751 0.74 ALDH1A1 (0.39) MAPTSMN1; SMN2ALDH1A1TP53HTT
SCHEMBL4462548 0.74 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1TP53HTT
SCHEMBL9909759 0.74 SMN1; SMN2 (0.47) MAPTSMN1; SMN2ALDH1A1TP53HTT
SCHEMBL4459662 0.74 MAPT (0.45) MAPTSMN1; SMN2ALDH1A1TP53LMNA

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