SCHEMBL28015802

SCHEMBL28015802

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.58
GPR35 Q9HC97 2/20 0.52
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ERN1 O75460 1/20 0.46
S100A4 P26447 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
PDE10A Q9Y233 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
SCHEMBL9775507 0.86 HSP90AA1 (0.50) TDP1GPR35TSHRSMN1; SMN2HSD17B10
SCHEMBL5248130 0.81 TDP1 (0.58) TDP1GPR35TSHRSMN1; SMN2HSD17B10
SCHEMBL272154 0.79 ERN1 (0.57) TDP1GPR35TSHRSMN1; SMN2HSD17B10
SCHEMBL11297088 0.78 TDP1 (0.54) TDP1GPR35TSHRSMN1; SMN2HSD17B10
SCHEMBL5783218 0.77 TDP1 (0.54) TDP1GPR35TSHRSMN1; SMN2HSD17B10
SCHEMBL3959829 0.77 TDP1 (0.54) TDP1GPR35TSHRSMN1; SMN2HSD17B10
SCHEMBL34722 0.76 MAPT (0.55) TDP1HSD17B10ALDH1A1ERN1MAPT
Ethane SCHEMBL27907717 0.75 HSD17B10 (0.65) TDP1GPR35TSHRSMN1; SMN2HSD17B10
SCHEMBL700297 0.75 TSHR (0.60) TDP1GPR35TSHRSMN1; SMN2HSD17B10
SCHEMBL27861738 0.75 TDP1 (0.50) TDP1GPR35TSHRSMN1; SMN2HSD17B10

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
CN-102782580-B Pattern forming method NIPPON KOGAKU KK 2015-04-22 CN claimed
CN-105829485-B Photocurable composition with adhesiveness 思美定株式会社 2018-10-12 CN disclosed
CN-102782580-B Pattern forming method NIPPON KOGAKU KK 2015-04-22 CN disclosed