SCHEMBL7929934

SCHEMBL7929934

CC(C)(C)Oc1cc([N+](=O)[O-])cc(OC(C)(C)C)c1[NH]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GALR3 O60755 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ERN1 O75460 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP19A1 P11511 2/20 0.39
PTGS2 P35354 4/20 0.38
LMNA P02545 2/20 0.37
ACHE P22303 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.36
PTGS1 P23219 2/20 0.36
NR1H4 Q96RI1 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7929923 0.79 HTT (0.56) HTTMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL642326 0.77 HTT (0.40) HTTMEN1KMT2AGALR3SMN1; SMN2
SCHEMBL7933244 0.74 MAPT (0.48) HTTMEN1KMT2ATSHRALDH1A1
SCHEMBL7930908 0.74 CYP19A1 (0.50) HTTMEN1KMT2AGALR3SMN1; SMN2
SCHEMBL8665223 0.73 ALDH1A1 (0.41) HTTMEN1KMT2AGALR3SMN1; SMN2
SCHEMBL7823977 0.71 KMT2A (0.53) HTTMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL7933239 0.71 CYP19A1 (0.52) HTTKMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL14477748 0.71 HSD17B10 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL7933060 0.71 HTT (0.66) HTTMEN1KMT2AGALR3SMN1; SMN2
SCHEMBL7929875 0.70 CYP19A1 (0.48) HTTMEN1KMT2ASMN1; SMN2ALDH1A1

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