SCHEMBL7928401

SCHEMBL7928401

CCc1cc([N+](=O)[O-])cc(CC)c1[NH]

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.64
POLB P06746 2/20 0.64
TSHR P16473 3/20 0.46
CYP19A1 P11511 1/20 0.44
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
GALR3 O60755 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
VCAM1 P19320 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR35 Q9HC97 1/20 0.37
ACHE P22303 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL7930892 0.86 HTT (0.53) HTTPOLBTSHRCYP19A1MAPT
SCHEMBL7929948 0.83 HTT (0.50) HTTPOLBTSHRCYP19A1MAPT
SCHEMBL7933133 0.80 HTT (0.47) HTTPOLBTSHRCYP19A1MAPT
SCHEMBL5158854 0.78 HTT (1.00) HTTPOLBTSHRCYP19A1MAPT
SCHEMBL9775523 0.78 HTT (0.64) HTTPOLBTSHRCYP19A1MAPT
SCHEMBL11811274 0.75 HTT (0.60) HTTPOLBTSHRCYP19A1MAPT
SCHEMBL7566464 0.74 POLB (0.59) HTTPOLBTSHRCYP19A1MAPT
SCHEMBL7784631 0.74 HTT (0.58) HTTPOLBTSHRCYP19A1MAPT
SCHEMBL13941258 0.74 HTT (0.58) HTTPOLBTSHRCYP19A1MAPT
SCHEMBL12776832 0.74 GPR35 (0.58) HTTPOLBTSHRCYP19A1MAPT

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