SCHEMBL8136284

SCHEMBL8136284

N#CC(O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.48
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
S100A4 P26447 2/20 0.40
PLAU P00749 1/20 0.40
PTPRC P08575 1/20 0.40
ERN1 O75460 1/20 0.40
MAPT P10636 2/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL1695138 0.80 CYP1A2 (0.50) GPR35TDP1ALDH1A1HPGDTSHR
SCHEMBL1694369 0.80 CYP1A2 (0.50) GPR35TDP1ALDH1A1HPGDTSHR
SCHEMBL1695140 0.80 CYP1A2 (0.50) GPR35TDP1ALDH1A1HPGDTSHR
SCHEMBL8911863 0.75 TDP1 (0.54) GPR35TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL10229729 0.75 GPR35 (0.54) GPR35TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL16225016 0.74 TDP1 (0.58) GPR35TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL19033749 0.74 TDP1 (0.41) GPR35TDP1ALDH1A1HPGDTSHR
SCHEMBL30479189 0.74 TDP1 (0.41) GPR35TDP1ALDH1A1HPGDTSHR
SCHEMBL8135423 0.72 GPR35 (0.50) GPR35TDP1ALDH1A1TSHRGRM8
SCHEMBL1665490 0.72 TDP1 (0.50) GPR35TDP1ALDH1A1TSHRSMN1; SMN2

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
US-6159665-A Processes using photosensitive materials including a nitro benzyl ester photoacid generator LUCENT TECHNOLOGIES INC. (US) 2000-12-12 US disclosed
US-5830619-A BLEND OF POLYMER AND ACID GENERATING MATERIAL LUCENT TECHNOLOGIES INC. (US) 1998-11-03 US disclosed
EP-0631188-B1 Resist materials AT & T CORP (US) 1997-09-10 EP disclosed
EP-0631188-A1 Resist materials AT&T Corp. (US) 1994-12-28 EP disclosed