SCHEMBL7929947

SCHEMBL7929947

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

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.66
TDP1 Q9NUW8 2/20 0.59
PKM P14618 1/20 0.54
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PTGS2 P35354 2/20 0.49
CYP19A1 P11511 1/20 0.49
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 7/20 0.47
GLA P06280 1/20 0.47
EPHX1 P07099 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL6996272 0.85 TDP1 (0.64) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL527567 0.82 HTT (0.72) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL29441283 0.82 HTT (0.72) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL57125 0.79 HTT (0.68) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL8977874 0.79 HTT (0.68) HTTTDP1PKMLMNASMN1; SMN2
Methyl Alcohol SCHEMBL27770206 0.79 HTT (0.68) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL9738111 0.79 HTT (0.68) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL265440 0.79 HTT (0.68) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL222283 0.79 HTT (1.00) HTTTDP1PKMLMNASMN1; SMN2
SCHEMBL26042832 0.79 HTT (0.62) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661350-B1 Quinizarin compound, method for production thereof, and use therefor NIPPON CATALYTIC CHEM IND (JP) 2001-08-22 EP disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 US disclosed
US-5608091-A SHEETS FOR HEAT EXCHANGING AND OPTICAL RECORDING MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 EP disclosed
WO-1989001000-A1 NOVEL POLYPEPTIDES FOR THE USE OF PREPARING FILMS WHICH ARE CARRYING HYDROPHOBIC GROUPS K & V LICENCING OY (FI) 1989-02-09 WO disclosed