SCHEMBL9815417

SCHEMBL9815417

Nc1ccc([N+](=O)[O-])c(CCO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
TDP1 Q9NUW8 4/20 0.55
ALOX15 P16050 2/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 6/20 0.50
CYP3A4 P08684 2/20 0.50
RECQL P46063 1/20 0.47
PDE7A Q13946 2/20 0.40
CYP1A2 P05177 1/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CHEK1 O14757 1/20 0.37
SNCA P37840 1/20 0.37
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL8447360 0.88 ALOX15 (0.58) TSHRTDP1ALOX15MAPK1HSD17B10
Hydrogen Sulfide SCHEMBL28060660 0.86 ALOX15 (0.56) TSHRTDP1ALOX15MAPK1HSD17B10
Methane SCHEMBL27666967 0.86 ALOX15 (0.56) TSHRTDP1ALOX15MAPK1HSD17B10
SCHEMBL2766494 0.86 TDP1 (0.58) TSHRTDP1ALOX15MAPK1HSD17B10
SCHEMBL2768561 0.86 TDP1 (0.58) TSHRTDP1ALOX15MAPK1HSD17B10
SCHEMBL2029679 0.82 TDP1 (0.50) TSHRTDP1ALOX15MAPK1HSD17B10
SCHEMBL9477777 0.81 BACE1 (0.47) TSHRALOX15L3MBTL1ALDH1A1CYP1A2
SCHEMBL2767547 0.80 TSHR (0.60) TSHRTDP1ALOX15MAPK1HSD17B10
SCHEMBL2765848 0.80 TSHR (0.60) TSHRTDP1ALOX15MAPK1HSD17B10
SCHEMBL28621032 0.80 ALDH5A1 (0.54) TSHRALDH1A1CYP1A2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111440077-B Synthesis method of 2, 5-diaminophenylethanol sulfate and application thereof in antiallergic hair dye 上海舒尔发化妆品科技有限公司 2022-07-22 CN disclosed
CN-111440077-A Synthesis method of 2, 5-diaminophenylethanol sulfate and application thereof in anti-allergic hair dye 上海舒尔发化妆品科技有限公司 2020-07-24 CN disclosed
CN-103242177-A Preparation method of 2,5-diaminophenethyl alcohol sulfate UNIV ZHEJIANG TECHNOLOGY 2013-08-14 CN disclosed
EP-0297607-B1 GAMMA-L-GLUTAMYL-4-NITROANILIDE DERIVATIVES AND PROCESS FOR DETERMINING GAMMA-GTP ACTIVITY USING THE SAME WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-28 EP disclosed
US-4851572-A DIAGNOSIS OF LIVER AND BILE DUCT DISORDERS, ALCOHOLISM WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0297607-A1 Gamma-L-glutamyl-4-nitroanilide derivatives and process for determining gamma-GTP activity using the same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-01-04 EP disclosed