SCHEMBL10337307

SCHEMBL10337307

N#[N+]c1ccc(S(=O)(=O)O)cc1.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP2D6 P10635 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.39
ALDH1A1 P00352 5/20 0.38
NT5E P21589 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
TDP1 Q9NUW8 3/20 0.35
SNCA P37840 1/20 0.35
HTR6 P50406 1/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL10825103 0.87 HTR6 (0.41) TSHRSMN1; SMN2POLBALDH1A1TDP1
SCHEMBL937040 0.85 LMNA (0.52) TSHRSMN1; SMN2CYP2D6POLBLMNA
SCHEMBL9333324 0.85 ALDH1A1 (0.42) TSHRSMN1; SMN2CYP2D6LMNAALDH1A1
SCHEMBL6740021 0.83 TSHR (0.73) TSHRSMN1; SMN2CYP2D6POLBLMNA
SCHEMBL30041268 0.83 TSHR (0.73) TSHRSMN1; SMN2CYP2D6POLBLMNA
Potassium Ion SCHEMBL28581538 0.83 TSHR (0.73) TSHRSMN1; SMN2CYP2D6POLBLMNA
Hydrochloric Acid SCHEMBL3425485 0.83 LMNA (0.50) TSHRSMN1; SMN2CYP2D6POLBLMNA
Water SCHEMBL3249386 0.83 LMNA (0.50) TSHRSMN1; SMN2CYP2D6POLBLMNA
SCHEMBL1941777 0.83 LMNA (0.37) LMNATDP1
Ammonia Solution, Strong SCHEMBL11062653 0.81 TSHR (0.70) TSHRSMN1; SMN2CYP2D6POLBLMNA

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
US-H791-H MULTILAYER ANALYTICAL ELEMENT FOR QUANTITATIVE ANALYSIS OF BILIRUBIN KATSUYAMA HARUMI (JP) 1990-06-05 US disclosed
EP-0119861-B1 MULTILAYER ANALYTICAL ELEMENT FOR QUANTITATIVE ANALYSIS OF BILIRUBIN FUJI PHOTO FILM CO., LTD. (JP) 1987-11-19 EP disclosed
EP-0119861-A1 Multilayer analytical element for quantitative analysis of bilirubin FUJI PHOTO FILM CO., LTD. (JP) 1984-09-26 EP disclosed