SCHEMBL9738111

SCHEMBL9738111

COc1cc([N+](=O)[O-])ccc1[O]

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.68
TDP1 Q9NUW8 2/20 0.61
PKM P14618 1/20 0.55
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PTGS2 P35354 2/20 0.50
CYP19A1 P11511 1/20 0.50
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 7/20 0.48
GLA P06280 1/20 0.48
EPHX1 P07099 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL9740065 0.85 TDP1 (0.66) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL29441283 0.84 HTT (0.72) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL527567 0.84 HTT (0.72) HTTTDP1PKMLMNASMN1; SMN2
Methyl Alcohol SCHEMBL27770206 0.81 HTT (0.68) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL265440 0.81 HTT (0.68) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL222283 0.81 HTT (1.00) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL57125 0.81 HTT (0.68) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL8977874 0.81 HTT (0.68) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL13572016 0.79 HTT (0.66) HTTTDP1PKMLMNASMN1; SMN2
Potassium Ion SCHEMBL265552 0.79 HTT (0.66) HTTTDP1PKMLMNASMN1; SMN2

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-5110941-A Methods of producing 1H-pyraolo(5,1-c)-1,2,4-triazoles and pyrazole derivatives FUJI PHOTO FILM CO., LTD. (JP) 1992-05-05 US claimed
EP-0399411-A1 Water soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-11-28 EP disclosed
EP-0381133-A1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-08 EP disclosed