SCHEMBL9847284

SCHEMBL9847284

CN(C)c1cccc([N+](=O)[O-])c1N

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GPR35 Q9HC97 2/20 0.44
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
HCAR3 P49019 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
S100A4 P26447 1/20 0.39
PDE7A Q13946 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1509290 0.80 HSD17B10 (0.54) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL65199 0.80 TDP1 (0.61) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL5154292 0.79 TDP1 (0.67) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
Ammonia Solution, Strong SCHEMBL28268609 0.79 HSD17B10 (0.52) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
Phosphine SCHEMBL28283987 0.79 HSD17B10 (0.52) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL6786619 0.78 TDP1 (0.48) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL31689533 0.78 TDP1 (0.67) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL5183666 0.78 TDP1 (0.48) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL9498051 0.77 C5AR1 (0.60) TDP1TSHRALDH1A1KDM4EHTT
SCHEMBL9847380 0.76 TDP1 (0.47) TDP1TSHRSMN1; SMN2ALDH1A1KDM4E

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-0406888-A2 Nonlinear optical polymer composition and method for producing the same SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1991-01-09 EP disclosed