SCHEMBL11297088

SCHEMBL11297088

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.54
TSHR P16473 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GPR35 Q9HC97 2/20 0.48
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ERN1 O75460 1/20 0.43
S100A4 P26447 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL18816145 0.79 TDP1 (0.48) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL3959829 0.78 TDP1 (0.54) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL28015802 0.78 TDP1 (0.58) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL5248130 0.78 TDP1 (0.58) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL3115667 0.78 ALDH1A1 (0.54) TDP1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL2975355 0.77 TDP1 (0.47) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL7801282 0.77 ALDH1A1 (0.51) TDP1TSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL272154 0.76 ERN1 (0.57) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL5783218 0.74 TDP1 (0.54) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL8361517 0.74 TDP1 (0.58) TDP1TSHRSMN1; SMN2GPR35HSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0067954-A2 Organic photoconductive compositions for electrophotography KABUSHIKI KAISHA TOSHIBA (JP) 1982-12-29 EP disclosed