SCHEMBL523743

SCHEMBL523743

Nc1ccc(Cl)cc1C(=O)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.53
FADS1 O60427 2/20 0.47
NOS2 P35228 2/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
GCK P35557 2/20 0.42
ABL1 P00519 1/20 0.42
TP53 P04637 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
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
SCHEMBL29911166 1.00 RECQL (0.53) RECQLFADS1NOS2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL30522383 0.98 RECQL (0.51) RECQLFADS1NOS2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL16992931 0.98 RECQL (0.51) RECQLFADS1NOS2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL30522385 0.96 RECQL (0.50) RECQLFADS1NOS2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL1052365 0.96 RECQL (0.50) RECQLFADS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL8087168 0.87 RECQL (0.56) RECQLFADS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL25261672 0.83 RECQL (0.54) RECQLFADS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL13151996 0.81 RECQL (0.53) RECQLFADS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL9937692 0.81 ALDH1A1 (0.59) RECQLALDH1A1SMN1; SMN2CYP3A4TSHR
SCHEMBL121698 0.81 TMPRSS4 (0.44) ALDH1A1SMN1; SMN2TSHRKMT2ATP53

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 229 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113979877-A Refining method for improving purity of 4-chloro-2-trifluoroacetylaniline mother liquor 盐城迪赛诺制药有限公司 2022-01-28 CN claimed
CN-108947855-B Synthesis method of efavirenz key intermediate 江苏沙星化工有限公司 2021-10-22 CN claimed
CN-109761829-A A kind of preparation method of high chiral purity efavirenz intermediate 盐城迪赛诺制药有限公司 2019-05-17 CN claimed
US-9156756-B2 Efficient process to induce enantioselectivity in procarbonyl compounds LAURUS LABS PRIVATE LIMITED (IN) 2015-10-13 US claimed
CN-110776406-B Novel Friedel-Crafts reaction method and catalyst thereof 福建永晶科技股份有限公司 2022-11-04 CN disclosed
CN-115073310-A Method for reducing specific impurities in efavirenz key intermediate mother liquor 盐城迪赛诺制药有限公司 2022-09-20 CN disclosed
CN-114989023-A Refining method for improving purity of efavirenz key intermediate mother liquor 盐城迪赛诺制药有限公司 2022-09-02 CN disclosed
CN-113880693-B Method for recovering trifluoroethanol in multi-component solvent 盐城迪赛诺制药有限公司 2022-08-23 CN disclosed
CN-114920268-A Method for separating metal salts from mixed salts in efavirenz intermediate production wastewater 盐城迪赛诺制药有限公司 2022-08-19 CN disclosed
WO-2022061920-A1 METHOD FOR PREPARING 3',5'-DICHLORO-2,2,2-TRIFLUOROACETOPHENONE 台州臻挚生物科技有限公司 2022-03-31 WO disclosed
CN-113979877-A Refining method for improving purity of 4-chloro-2-trifluoroacetylaniline mother liquor 盐城迪赛诺制药有限公司 2022-01-28 CN disclosed
CN-113979877-A Refining method for improving purity of 4-chloro-2-trifluoroacetylaniline mother liquor 盐城迪赛诺制药有限公司 2022-01-28 CN disclosed
WO-1998027034-A1 AN IMPROVED SYNTHESIS OF CYCLOPROPYLACETYLENE DU PONT PHARMACEUTICALS COMPANY (US) 1998-06-25 WO disclosed
WO-1998014436-A1 4,4-DISUBSTITUTED-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS AND INTERMEDIATES AND PROCESSES FOR MAKING THE SAME DUPONT PHARMACEUTICALS COMPANY (US) 1998-04-09 WO disclosed
US-5665720-A MIXTURE WITH NUCLEOSIDE ANALOG MERCK & CO., INC. (US) 1997-09-09 US disclosed
US-5663169-A Benzoxazinones as inhibitors of HIV reverse transcriptase MERCK & CO., INC. (US) 1997-09-02 US disclosed
US-5519021-A Benzoxazinones as inhibitors of HIV reverse transcriptase MERCK & CO., INC. (US) 1996-05-21 US disclosed
WO-1995020389-A1 BENZOXAZINONES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1995-08-03 WO disclosed
WO-1994003440-A1 BENZOXAZINONES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1994-02-17 WO disclosed
EP-0582455-A1 Benzoxazinones as inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1994-02-09 EP disclosed