SCHEMBL8564751

SCHEMBL8564751

Nc1ccnc(C(F)(F)F)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 4/20 0.36
ABCC8 Q09428 2/20 0.35
KCNJ11 Q14654 2/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
NPY1R P25929 3/20 0.33
NOD2 Q9HC29 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3936538 0.79 ALDH1A1 (0.41) HTTHSD17B10MEN1KMT2AALDH1A1
SCHEMBL31481284 0.79 GPR35 (0.41) HTTHSD17B10MEN1KMT2AALDH1A1
SCHEMBL28802588 0.77 MEN1 (0.41) HTTMEN1USP2KMT2AKEAP1
SCHEMBL3688848 0.76 MAPT (0.47) HTTMEN1USP2KMT2AKEAP1
SCHEMBL8559928 0.76 MAPT (0.40) HTTHSD17B10MEN1USP2KMT2A
SCHEMBL4756003 0.76 ALDH1A1 (0.35) HTTHSD17B10MEN1KMT2AALDH1A1
SCHEMBL18486948 0.74 KMT2A (0.42) HTTMEN1USP2KMT2AKEAP1
SCHEMBL8561095 0.74 MEN1 (0.42) HTTMEN1USP2KMT2AKEAP1
SCHEMBL4064206 0.73 MEN1 (0.41) HTTHSD17B10MEN1USP2KMT2A
SCHEMBL414810 0.73 MEN1 (0.41) HTTMEN1USP2KMT2AKEAP1

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