SCHEMBL7930892

SCHEMBL7930892

CCCc1cc([N+](=O)[O-])cc(CCC)c1[NH]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 4/20 0.36
GALR3 O60755 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
VCAM1 P19320 1/20 0.34

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
SCHEMBL7929948 0.89 HTT (0.50) HTTPOLBMAPTTSHRCYP19A1
SCHEMBL7928401 0.86 HTT (0.64) HTTPOLBMAPTTSHRCYP19A1
SCHEMBL7930898 0.81 HTT (0.75) HTTPOLBMAPTTSHRCYP19A1
SCHEMBL14220842 0.77 KDM4E (0.49) HTTPOLBMAPTTSHRCYP19A1
SCHEMBL15835003 0.76 POLB (0.52) HTTPOLBMAPTTSHRCYP19A1
SCHEMBL7933133 0.76 HTT (0.47) HTTPOLBMAPTTSHRCYP19A1
SCHEMBL11575967 0.75 GPR35 (0.57) HTTPOLBMAPTTSHRKDM4E
SCHEMBL10660962 0.75 HTT (0.47) HTTPOLBMAPTTSHRKDM4E
SCHEMBL5080677 0.75 GPR35 (0.57) HTTPOLBMAPTTSHRKDM4E
SCHEMBL7122749 0.74 TDP1 (0.55) HTTPOLBMAPTTSHRKDM4E

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 4 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