SCHEMBL6586982

SCHEMBL6586982

COc1ccccc1C(=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.67
LMNA P02545 5/20 0.63
SMN1; SMN2 Q16637 6/20 0.53
RAB9A P51151 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 5/20 0.52
MAPK1 P28482 4/20 0.52
KMT2A Q03164 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
MEN1 O00255 2/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
PPARG P37231 1/20 0.52

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
SCHEMBL9384153 0.90 LMNA (0.70) RORCLMNASMN1; SMN2RAB9ANPSR1
SCHEMBL6589148 0.86 RORC (0.56) RORCLMNASMN1; SMN2NPSR1KDM4E
SCHEMBL9383327 0.84 RORC (0.61) RORCLMNASMN1; SMN2NPSR1KDM4E
SCHEMBL10953243 0.83 HSD17B10 (0.62) RORCLMNASMN1; SMN2NPSR1KDM4E
SCHEMBL8114706 0.82 ALDH1A1 (0.61) RORCLMNASMN1; SMN2RAB9AMAPT
SCHEMBL7974517 0.82 RORC (0.52) RORCLMNASMN1; SMN2RAB9ANPSR1
SCHEMBL9186557 0.81 NPSR1 (0.61) RORCLMNASMN1; SMN2RAB9ANPSR1
SCHEMBL7789011 0.78 SMN1; SMN2 (0.73) LMNASMN1; SMN2RAB9AMAPTKMT2A
SCHEMBL17770569 0.78 LMNA (0.60) LMNASMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL16922169 0.77 NPSR1 (0.64) RORCLMNASMN1; SMN2NPSR1KDM4E

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 12 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
EP-0726268-B1 Substituted benzisoxazole and benzisothiazole herbicidal agents AMERICAN CYANAMID CO (US) 2000-11-02 EP 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
EP-0726268-A1 Substituted benzisoxazole and benzisothiazole herbicidal agents American Cyanamid Company (US) 1996-08-14 EP disclosed
US-5523278-A PRE- AND POST-EMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1996-06-04 US disclosed
US-5484763-A Substituted benzisoxazole and benzisothiazole herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-01-16 US disclosed