SCHEMBL28290110

SCHEMBL28290110

CCS(=O)(=O)OCc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR35 Q9HC97 1/20 0.41
ALDH1A1 P00352 4/20 0.41
S100A4 P26447 1/20 0.41
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 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
SCHEMBL5711756 0.86 TDP1 (0.46) TDP1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL13098341 0.85 TDP1 (0.41) TDP1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL14411092 0.81 ALDH1A1 (0.55) TDP1TSHRMEN1KMT2AALDH1A1
SCHEMBL5135097 0.81 HTT (0.49) MEN1KMT2AALDH1A1HSD17B10CYP1A2
SCHEMBL59130 0.80 ALDH1A1 (0.47) TDP1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL7603497 0.79 CA2 (0.45) TDP1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL952171 0.79 KMT2A (0.49) TDP1MEN1KMT2ASMN1; SMN2GPR35
SCHEMBL14620752 0.79 TDP1 (0.39) TDP1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL5135093 0.79 HSD17B10 (0.49) TDP1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL7602645 0.78 PRMT5 (0.43) MEN1KMT2AALDH1A1CYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109575676-A The preparation method of photosensitive-ink for 3D glass and preparation method thereof and light sensitive layer 湖南松井新材料股份有限公司 2019-04-05 CN claimed
CN-109575676-A The preparation method of photosensitive-ink for 3D glass and preparation method thereof and light sensitive layer 湖南松井新材料股份有限公司 2019-04-05 CN disclosed