SCHEMBL6589148

SCHEMBL6589148

COc1ccc(C)cc1C(=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.56
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
GAA P10253 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 1/20 0.54
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 3/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTT P42858 3/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.46
PYGL P06737 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL6586982 0.86 RORC (0.67) RORCKMT2AMEN1GAASMN1; SMN2
SCHEMBL9384153 0.86 LMNA (0.70) RORCKMT2AMEN1GAASMN1; SMN2
SCHEMBL7974517 0.85 RORC (0.52) RORCKMT2AMEN1GAASMN1; SMN2
SCHEMBL7593343 0.85 KMT2A (0.57) RORCKMT2AMEN1GAASMN1; SMN2
SCHEMBL9186557 0.82 NPSR1 (0.61) RORCKMT2AMEN1GAASMN1; SMN2
SCHEMBL10953243 0.82 HSD17B10 (0.62) RORCKMT2AMEN1GAASMN1; SMN2
SCHEMBL31406944 0.81 HTT (0.55) KMT2AMEN1GAAMAPTLMNA
SCHEMBL10729836 0.80 NPSR1 (0.68) RORCKMT2AMEN1GAASMN1; SMN2
SCHEMBL13492133 0.79 ALDH1A1 (0.52) KMT2AMEN1GAASMN1; SMN2MAPT
SCHEMBL7991832 0.79 NPSR1 (0.51) RORCKMT2AMEN1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150962-B1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID CO (US) 2004-04-28 EP disclosed
EP-0908457-B1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents BASF AG (DE) 2002-11-13 EP disclosed
US-6355796-B1 REACTING BETA-AMINO-BETA-(PERFLUOROALKYL)ACRYLATE COMPOUND WITH BASE AND CARBAMOYL CHLORIDE COMPOUND TO FORM UREA COMPOUND, REACTING UREA COMPOUND WITH PHOSPHORUS PENTAHALIDE OR OXALYL HALIDE BASF AKTIENGESELLSCHAFT (DE) 2002-03-12 US disclosed
EP-1150962-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2001-11-07 EP disclosed
US-6313295-B1 REACTING CARBAMATE WITH AMINE; CYCLIZATION, ALKYLATION BASF AKTIENGESELLSCHAFT (DE) 2001-11-06 US disclosed
US-6191275-B1 REACTING ETHYL 3-((N,N-DIMETHYLCARBAMOYL)AMINO)-4,4,4-TRIFLUOROCROTONATE, FOR EXAMPLE WITH AMINO COMPOUNDS IN ACID OR BASE TO FORM HERBICIDES OF FORMULA 1-(OPTIONALLY ALKYL), 3-(SUBSTITUTED),6-(PERFLUOROALKYL)-1H,4H-PYRIMIDINE-2,4-DIONE AMERICAN CYANAMID COMPANY 2001-02-20 US disclosed
US-6156700-A 3-(1,2-Benzisothiazol- and isoxazol-5-yl)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-yl)-4(3H)-pyrimidinone or thione herbicidal agents AMERICAN CYANMID COMPANY (US) 2000-12-05 US disclosed
US-6140270-A BY REACTING THEM WITH AN AMINE COMPOUND AND AN ACID OR BASE; HERBICIDES AMERICAN CYANAMID COMPANY 2000-10-31 US disclosed
WO-2000049003-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
EP-0908457-A1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents American Cyanamid Company (US) 1999-04-14 EP disclosed