SCHEMBL7930898

SCHEMBL7930898

CCCc1cc([N+](=O)[O-])cc(CCC)c1N

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.75
POLB P06746 1/20 0.75
ALDH1A1 P00352 6/20 0.47
MAPT P10636 3/20 0.46
CYP3A4 P08684 3/20 0.43
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.41
CYP19A1 P11511 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 2/20 0.39
GPR35 Q9HC97 1/20 0.38
XDH P47989 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL7929953 0.89 POLB (0.70) HTTPOLBALDH1A1MAPTCYP3A4
SCHEMBL5158854 0.86 HTT (1.00) HTTPOLBALDH1A1MAPTCYP3A4
SCHEMBL7122749 0.81 TDP1 (0.55) HTTPOLBALDH1A1MAPTCYP3A4
SCHEMBL7930892 0.81 HTT (0.53) HTTPOLBALDH1A1MAPTTSHR
SCHEMBL7029010 0.80 HTT (0.57) HTTPOLBALDH1A1MAPTCYP3A4
SCHEMBL11416556 0.79 ALDH1A1 (0.59) HTTPOLBALDH1A1MAPTCYP3A4
SCHEMBL5105572 0.78 POLB (0.50) HTTPOLBALDH1A1MAPTCYP3A4
SCHEMBL10658167 0.77 HTT (0.50) HTTPOLBALDH1A1MAPTCYP3A4
SCHEMBL14220842 0.77 KDM4E (0.49) HTTPOLBALDH1A1MAPTCYP3A4
SCHEMBL30873107 0.77 CYP3A4 (0.56) HTTPOLBALDH1A1MAPTCYP3A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112851840-A Catalyst for catalyzing high molecular weight polyethylene and preparation method thereof 徐毓敏 2021-05-28 CN claimed
CN-112851715-A Complex for catalyzing polymerization of 4-methyl-1-pentene and preparation method thereof 张洪胜 2021-05-28 CN claimed
CN-112851840-A Catalyst for catalyzing high molecular weight polyethylene and preparation method thereof 徐毓敏 2021-05-28 CN disclosed
CN-112851715-A Complex for catalyzing polymerization of 4-methyl-1-pentene and preparation method thereof 张洪胜 2021-05-28 CN disclosed
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