SCHEMBL7930908

SCHEMBL7930908

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.50
TSHR P16473 1/20 0.41
PDK1 Q15118 1/20 0.40
HTT P42858 5/20 0.40
ERN1 O75460 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR2A P28223 1/20 0.35
GALR3 O60755 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL7930915 0.81 CYP19A1 (0.54) CYP19A1TSHRPDK1HTTERN1
SCHEMBL5231474 0.80 CYP19A1 (0.49) CYP19A1TSHRPDK1HTTERN1
SCHEMBL7929923 0.79 HTT (0.56) CYP19A1TSHRHTTERN1SMN1; SMN2
SCHEMBL11835883 0.78 CYP19A1 (0.61) CYP19A1TSHRPDK1HTTSMN1; SMN2
SCHEMBL7927608 0.77 MAPT (0.40) TSHRHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL27990439 0.77 ALDH1A1 (0.58) CYP19A1TSHRPDK1HTTSMN1; SMN2
SCHEMBL3295088 0.75 HTT (0.67) CYP19A1TSHRHTTSMN1; SMN2LMNA
SCHEMBL9699062 0.75 CYP19A1 (0.58) CYP19A1TSHRPDK1HTTSMN1; SMN2
SCHEMBL10174921 0.75 XDH (0.49) CYP19A1TSHRPDK1HTTERN1
SCHEMBL9739370 0.75 HTT (0.46) CYP19A1TSHRHTTLMNAMEN1

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 6 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-5968688-A RESINS AND DYES FOR COLOR FILTERS NIPPON SHOKUBAI CO., LTD. (JP) 1999-10-19 US disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 US disclosed
EP-0833203-A1 Color filter grade photosensitive resin coloring composition, and color filter using the same NIPPON SHOKUBAI CO., LTD. (JP) 1998-04-01 EP 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