SCHEMBL1655812

SCHEMBL1655812

Oc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.49
ADORA2A P29274 5/20 0.49
ADORA1 P30542 5/20 0.49
CYP3A4 P08684 4/20 0.49
ADORA3 P0DMS8 2/20 0.49
CYP2D6 P10635 2/20 0.49
ADORA2B P29275 1/20 0.49
CYP2C19 P33261 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
HTR1A P08908 1/20 0.49
TSHR P16473 1/20 0.49
CNR1 P21554 1/20 0.49
GLRA1 P23415 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2A P28223 1/20 0.49

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
SCHEMBL7691626 0.86 PARP1 (0.43) KCNH2ADORA2AADORA1CYP3A4ADORA3
SCHEMBL2709066 0.85 ELANE (0.47) KCNH2ADORA2AADORA1CYP3A4ADORA3
SCHEMBL6104787 0.85 ESR1 (0.43) KCNH2ADORA2AADORA1CYP3A4ADORA3
SCHEMBL2709776 0.83 PRKD3 (0.40) KCNH2ADORA2AADORA1CYP3A4ADORA3
SCHEMBL9494183 0.83 CD38 (0.44) KCNH2ADORA2AADORA1CYP3A4ADORA3
SCHEMBL31327745 0.82 ENPP3 (0.48) KCNH2ADORA2AADORA1CYP3A4ADORA3
SCHEMBL28858276 0.82 ENPP3 (0.48) KCNH2ADORA2AADORA1CYP3A4ADORA3
SCHEMBL2711485 0.82 MAP4K4 (0.41) KCNH2ADORA2AADORA1CYP3A4ADORA3
SCHEMBL30351049 0.82 ESR1 (0.42) KCNH2ADORA2AADORA1CYP3A4ADORA3
SCHEMBL2709144 0.81 TNKS (0.44) ADORA2AKDM4ELMNATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120136851-A Preparation method and application of quinoline ester compound 楚雄师范学院 2025-06-13 CN claimed
CN-117397690-A Application of 2, 8-bis (trifluoromethyl) -4-hydroxyquinoline derivative in preventing and controlling agricultural bacteria 兰州大学 2024-01-16 CN claimed
CN-116991036-A Fluorine-silicon modified polyurethane photoresist and preparation method thereof 常州大学 2023-11-03 CN claimed
CN-115197134-A Preparation method and application of camphorsulfonate compounds 南京林业大学 2022-10-18 CN claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
CN-121609673-B PDE4 inhibitor and preparation method and application thereof WUYI UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-117397690-B Application of 2, 8-bis (trifluoromethyl) -4-hydroxyquinoline derivative in preventing and controlling agricultural bacteria 广西田园生化股份有限公司 2026-04-24 CN disclosed
CN-117397690-B Application of 2, 8-bis (trifluoromethyl) -4-hydroxyquinoline derivative in preventing and controlling agricultural bacteria 广西田园生化股份有限公司 2026-04-24 CN disclosed
CN-120136851-A Preparation method and application of quinoline ester compound 楚雄师范学院 2025-06-13 CN disclosed
CN-115197134-B Preparation method and application of camphorsulfonate compounds 南京林业大学 2024-07-30 CN disclosed
CN-117397690-A Application of 2, 8-bis (trifluoromethyl) -4-hydroxyquinoline derivative in preventing and controlling agricultural bacteria 兰州大学 2024-01-16 CN disclosed
CN-117397690-A Application of 2, 8-bis (trifluoromethyl) -4-hydroxyquinoline derivative in preventing and controlling agricultural bacteria 兰州大学 2024-01-16 CN disclosed
EP-0049776-B1 4-QUINOLINE METHANE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF SUBSTANCES WITH A PHARMACOLOGICAL ACTIVITY BASF Aktiengesellschaft (DE) 1985-07-31 EP disclosed
EP-0049555-B1 2-TRIFLUOROMETHYL-4-HYDROXY-3 QUINOLINE-CARBOXYLIC-ACID DERIVATIVES AND THEIR PREPARATION ROUSSEL-UCLAF (FR) 1984-02-22 EP disclosed
US-4429130-A Pyrid-2'-yl-2-trifluoromethyl quinol-4-ylmethanes BASF AKTIENGESELLSCHAFT (DE) 1984-01-31 US disclosed
EP-0012639-B1 QUINOLEIN-3-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE IN MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1983-09-07 EP disclosed
EP-0049776-A2 4-Quinoline methane derivatives, their preparation and their use in the preparation of substances with a pharmacological activity BASF Aktiengesellschaft (DE) 1982-04-21 EP disclosed
EP-0049555-A1 2-Trifluoromethyl-4-hydroxy-3 quinoline-carboxylic-acid derivatives and their preparation ROUSSEL-UCLAF (FR) 1982-04-14 EP disclosed
EP-0012639-A2 Quinolein-3-carboxylic acid derivatives, process for their preparation, their use in medicines and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1980-06-25 EP disclosed
US-3953453-A ANTIMALARIAL AGENTS HOFFMANN-LA ROCHE INC. (US) 1976-04-27 US disclosed