SCHEMBL8565404

SCHEMBL8565404

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
HTT P42858 5/20 0.42
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.42
NOD2 Q9HC29 1/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
KMT2A Q03164 1/20 0.35
PDE7A Q13946 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
SCHEMBL7239084 0.79 ABCC8 (0.36) MAPTKDM4ELMNAALDH1A1ABCC8
SCHEMBL29004847 0.79 EPAS1 (0.38) MAPTKDM4ESMN1; SMN2ALDH1A1ABCC8
SCHEMBL31481297 0.79 ABCC8 (0.36) MAPTKDM4ELMNAALDH1A1ABCC8
SCHEMBL11708343 0.77 MAPT (0.47) MAPTHTTKDM4EMITFNOD2
SCHEMBL8562920 0.77 MAPT (0.45) MAPTHTTKDM4EMITFNOD2
SCHEMBL8562204 0.76 S1PR4 (0.38) MAPTKDM4ELMNAALDH1A1ABCC8
SCHEMBL3688848 0.76 MAPT (0.47) MAPTHTTKDM4EMITFNOD2
SCHEMBL8562469 0.76 MAPT (0.41) MAPTHTTKDM4EMITFNOD2
SCHEMBL4459662 0.74 MAPT (0.45) MAPTLMNASMN1; SMN2ALDH1A1TP53
SCHEMBL8568773 0.74 MAPT (0.46) MAPTHTTKDM4EMITFNOD2

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 4 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
US-4022897-A 4H-PYRIDO(1,2-A) PYRIMIDIN-4-ONE DERIVATIVES E. R. SQUIBB & SONS, INC. (US) 1977-05-10 US disclosed