SCHEMBL1287916

SCHEMBL1287916

CC(C)c1c(Cc2ccccc2)[nH]c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.47
CAPN1 P07384 1/20 0.46
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
DAO P14920 2/20 0.41
NR3C1 P04150 4/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 1/20 0.40
NR3C2 P08235 1/20 0.39
KDM5A P29375 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PARP1 P09874 1/20 0.37
AR P10275 1/20 0.37
KDM4A O75164 1/20 0.37
MAPT P10636 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL7674381 0.86 DAO (0.43) TYMPCAPN1HPGDPOLBDAO
SCHEMBL7672761 0.84 ALDH1A1 (0.48) CAPN1HPGDPOLBDAOALDH1A1
SCHEMBL18080426 0.79 KCNMA1 (0.47) CAPN1HPGDPOLB
SCHEMBL18080412 0.78 CYP19A1 (0.47)
SCHEMBL5197218 0.75 TYMP (0.57) TYMPHPGDDAONR3C1ALDH1A1
SCHEMBL27711724 0.75 TYMP (0.51) TYMPHPGDDAONR3C1ALDH1A1
SCHEMBL27711723 0.75 TYMP (0.51) TYMPHPGDDAONR3C1ALDH1A1
SCHEMBL14446906 0.74 DAO (0.47) TYMPHPGDDAONR3C1ALDH1A1
SCHEMBL20886374 0.73 KDM4E (0.37) TYMPALDH1A1HTTLMNAMAPT
SCHEMBL21331827 0.72 SMN1; SMN2 (0.46) TYMPHPGDPOLBDAONR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6452006-B1 USED AS INTERMEDIATE IN THE SYNTHESIS OF ACTIVE COMPOUNDS WHICH ARE INHIBITORS OF HIV (HUMAN IMMUNODEFICIENCY VIRUS) REVERSE TRANSCRIPTASE SYLACHIM (FR) 2002-09-17 US claimed
CN-102206187-B New synthetic method for 6-benzyl-1-ethoxymethyl-5-isopropyluracil (Emivirine) and analogues thereof UNIV BEIJING 2013-01-02 CN disclosed
WO-2012047993-A2 N-HYDROXYPYRIMIDINE-2,4-DIONES AS INHIBITORS OF HIV AND HCV REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-04-12 WO disclosed
CN-102206187-A New synthetic method for 6-benzyl-1-ethoxymethyl-5-isopropyluracil (Emivirine) and its analogues UNIV BEIJING 2011-10-05 CN disclosed
WO-2003057677-A1 ANTI-RETROVIRAL 5,6-DISUBSTITUTED ACYCLOPYRIMIDINE NUCLEOSIDE DERIVATIVES SYDDANSK UNIVERSITET (DK) 2003-07-17 WO disclosed
EP-1001789-B1 PRODUCT COMPRISING AT LEAST A DOUBLE STRANDED RNA COMBINED WITH AT LEAST A 6-BENZYLURACIL DERIVATIVE FOR A SIMULATNEAOUS, SEPARATED OR TIME-SPREADED THERAPEUTIC USE SOD CONSEILS RECH APPLIC (FR) 2002-11-06 EP disclosed
US-6452006-B1 USED AS INTERMEDIATE IN THE SYNTHESIS OF ACTIVE COMPOUNDS WHICH ARE INHIBITORS OF HIV (HUMAN IMMUNODEFICIENCY VIRUS) REVERSE TRANSCRIPTASE SYLACHIM (FR) 2002-09-17 US disclosed
US-6452006-B1 USED AS INTERMEDIATE IN THE SYNTHESIS OF ACTIVE COMPOUNDS WHICH ARE INHIBITORS OF HIV (HUMAN IMMUNODEFICIENCY VIRUS) REVERSE TRANSCRIPTASE SYLACHIM (FR) 2002-09-17 US disclosed
US-6452006-B1 USED AS INTERMEDIATE IN THE SYNTHESIS OF ACTIVE COMPOUNDS WHICH ARE INHIBITORS OF HIV (HUMAN IMMUNODEFICIENCY VIRUS) REVERSE TRANSCRIPTASE SYLACHIM (FR) 2002-09-17 US disclosed
EP-1169310-A1 PROCESS FOR PREPARING MKC-442 Triangle Pharmaceuticals Inc. (US) 2002-01-09 EP disclosed
EP-1097143-A1 METHOD FOR PREPARING 5-(1-METHYLETHYL)-6-(PHENYLMETHYL)PYRIMIDINE-2,4(1H,3H)-DIONE FINORGA SA (FR) 2001-05-09 EP disclosed
EP-1097143-A1 METHOD FOR PREPARING 5-(1-METHYLETHYL)-6-(PHENYLMETHYL)PYRIMIDINE-2,4(1H,3H)-DIONE FINORGA SA (FR) 2001-05-09 EP disclosed
WO-2000061566-A1 PROCESS FOR PREPARING MKC-442 TRIANGLE PHARMACEUTICALS, INC. (US) 2000-10-19 WO disclosed
EP-1001789-A1 PRODUCT COMPRISING AT LEAST A DOUBLE STRANDED RNA COMBINED WITH AT LEAST A 6-BENZYLURACIL DERIVATIVE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-05-24 EP disclosed
WO-2000003999-A1 METHOD FOR PREPARING 5-(1-METHYLETHYL)-6-(PHENYLMETHYL)PYRIMIDINE-2,4(1H,3H)-DIONE SANOFI-SYNTHELABO (FR) 2000-01-27 WO disclosed
WO-2000003999-A1 METHOD FOR PREPARING 5-(1-METHYLETHYL)-6-(PHENYLMETHYL)PYRIMIDINE-2,4(1H,3H)-DIONE SANOFI-SYNTHELABO (FR) 2000-01-27 WO disclosed
WO-1999007384-A1 PRODUCT COMPRISING AT LEAST A DOUBLE STRANDED RNA COMBINED WITH AT LEAST A 6-BENZYLURACIL DERIVATIVE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-02-18 WO disclosed