SCHEMBL8559928

SCHEMBL8559928

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
MGMT P16455 7/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
HTT P42858 3/20 0.34
LMNA P02545 2/20 0.34
NOD2 Q9HC29 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1959760 0.79 MEN1 (0.45) MAPTMGMTSMN1; SMN2ALDH1A1TP53
SCHEMBL30622686 0.79 MEN1 (0.45) MAPTMGMTSMN1; SMN2ALDH1A1TP53
SCHEMBL8564101 0.78 MGMT (0.38) MAPTMGMTSMN1; SMN2ALDH1A1TP53
SCHEMBL8564751 0.76 HTT (0.45) MAPTSMN1; SMN2ALDH1A1MEN1USP2
SCHEMBL8562469 0.75 MAPT (0.41) MAPTMGMTSMN1; SMN2ALDH1A1TP53
SCHEMBL8564287 0.75 MGMT (0.61) MGMTMEN1KMT2AHTTLMNA
SCHEMBL7082751 0.74 ALDH1A1 (0.39) MAPTSMN1; SMN2ALDH1A1TP53MEN1
SCHEMBL28802588 0.73 MEN1 (0.41) MAPTMGMTSMN1; SMN2ALDH1A1TP53
SCHEMBL31523674 0.73 MPL (0.39) HTTHSD17B10
SCHEMBL8572912 0.73 MGMT (0.39) MAPTMGMTSMN1; SMN2ALDH1A1MEN1

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