SCHEMBL172214

SCHEMBL172214

C=Cc1ccccc1NC(C)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
NAPRT Q6XQN6 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAOA P21397 1/20 0.45
CASP1 P29466 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43

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
Ethylene SCHEMBL7111690 0.96 CYP2C19 (0.61) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL26728286 0.84 MAPT (0.65) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL26728242 0.84 MAPT (0.65) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL553680 0.82 CYP2C19 (0.62) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20877511 0.82 CYP1A2 (0.45) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30955844 0.82 CYP1A2 (0.45) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3130794 0.82 CYP2C19 (0.62) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30168159 0.82 CYP2C19 (0.62) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24012108 0.81 CYP1A2 (0.44) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5950645 0.81 CYP2C19 (0.60) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117802805-A Reactive dye low-temperature soaping agent for cotton and preparation method thereof 太仓宝霓实业有限公司 2024-04-02 CN claimed
CN-110922952-A High-temperature high-salinity reservoir polymer microsphere profile control and flooding agent and preparation method and application thereof 成都新驱势石油技术开发有限公司 2020-03-27 CN claimed
CN-104610950-B Suspended gel particle plugging agent and application thereof 中国石油天然气股份有限公司 2017-12-01 CN claimed
JP-60065005-A None JP disclosed
JP-3024056-A None JP disclosed
CN-117802805-A Reactive dye low-temperature soaping agent for cotton and preparation method thereof 太仓宝霓实业有限公司 2024-04-02 CN disclosed
EP-2298820-B1 POROUS RESIN BEAD AND METHOD FOR PRODUCING NUCLEIC ACID USING THE SAME NITTO DENKO CORP (JP) 2020-11-04 EP disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
EP-2298821-B1 POROUS RESIN BEAD AND METHOD FOR PRODUCING NUCLEIC ACID USING THE SAME NITTO DENKO CORP (JP) 2020-07-29 EP disclosed
CN-110922952-A High-temperature high-salinity reservoir polymer microsphere profile control and flooding agent and preparation method and application thereof 成都新驱势石油技术开发有限公司 2020-03-27 CN disclosed
CN-104109218-B (Methyl)Acrylic ester polymer, composition containing the polymer and application thereof 昭和电工株式会社 2018-06-12 CN disclosed
CN-1281438-A Piperazine compounds and their use as pharmaceuticals EFUKU CO LTD (JP) 2001-01-24 CN disclosed
JP-H0324056-A PRODUCTION OF INDOLES KAWAKEN FINE CHEM CO LTD 1991-02-01 JP disclosed
EP-0085836-B1 USE OF ORGANIC POLYMERIC BORON COMPOUNDS AS POLYMERISATION INITIATORS Henkel Kommanditgesellschaft auf Aktien (DE) 1988-07-20 EP disclosed
US-4639498-A ORGANOBORON POLYMERIC CATALYST HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1987-01-27 US disclosed
US-4638092-A POLYMERIZATION INIATOR; INCREASED STABILITY IN OXYGEN ATMOSPHERE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1987-01-20 US disclosed
EP-0084805-B1 AEROBICALLY CURABLE POLYMER COMPOSITIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1985-10-16 EP disclosed
JP-S6065005-A PARTIAL IMPARTMENT OF HYDROPHILICITY TO POLYMERIC MATERIAL JAPAN SYNTHETIC RUBBER CO LTD 1985-04-13 JP disclosed
EP-0085836-A2 Use of organic polymeric boron compounds as polymerisation initiators Henkel Kommanditgesellschaft auf Aktien (DE) 1983-08-17 EP disclosed
EP-0084805-A1 Aerobically curable polymer compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1983-08-03 EP disclosed