SCHEMBL6589303

SCHEMBL6589303

COc1ccc(C)cc1C(=O)c1cc([N+](=O)[O-])c(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ ALDH1A1 P00352 7/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PKM P14618 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL31406949 0.80 HTT (0.56) MAPTALDH1A1LMNAGAAHPGD
SCHEMBL9726812 0.77 ACHE (0.58) MAPTALDH1A1LMNACYP1A2CYP2C9
SCHEMBL3596308 0.74 L3MBTL1 (0.45) MAPTALDH1A1LMNAPKML3MBTL1
SCHEMBL13577298 0.74 PKM (0.50) MAPTALDH1A1LMNAMAPK1MEN1
SCHEMBL2247382 0.73 PDGFRB (0.50) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL31406944 0.73 HTT (0.55) MAPTALDH1A1LMNAMAPK1MEN1
SCHEMBL1721368 0.72 PDGFRB (0.47) MAPTLMNAKMT2APKML3MBTL1
SCHEMBL15486753 0.72 POLB (0.45) MAPTALDH1A1LMNAPKML3MBTL1
SCHEMBL28892668 0.72 LMNA (0.43) MAPTALDH1A1LMNAMAPK1MEN1
SCHEMBL28395903 0.72 TSHR (0.62) MAPTALDH1A1CYP3A4TSHR

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
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
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
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
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