SCHEMBL28026110

SCHEMBL28026110

N#Cc1cccc(OCF)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
FFAR1 O14842 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
NR1H4 Q96RI1 1/20 0.40
ENPP2 Q13822 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40

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
SCHEMBL3105876 0.85 TBXAS1 (0.54) TBXAS1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL2437120 0.81 FABP7 (0.38) TBXAS1FFAR1
SCHEMBL7388461 0.81 TBXAS1 (0.56) TBXAS1
SCHEMBL28027156 0.81 TBXAS1 (0.49) TBXAS1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL27969567 0.81 TBXAS1 (0.49) TBXAS1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL11259709 0.81 FFAR1 (0.52) TBXAS1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL11024053 0.81 TBXAS1 (0.49) TBXAS1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL28027146 0.81 TBXAS1 (0.49) TBXAS1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL14997657 0.81 TBXAS1 (0.49) TBXAS1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL535547 0.81 TBXAS1 (0.49) TBXAS1SMN1; SMN2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109952289-A TRPV4 antagonist 葛兰素史密斯克莱知识产权(第2 号)有限公司 2019-06-28 CN claimed
CN-106008355-B Compound and its purposes as BACE inhibitor 阿斯利康(瑞典)有限公司 2019-05-03 CN claimed
CN-109952289-A TRPV4 antagonist 葛兰素史密斯克莱知识产权(第2 号)有限公司 2019-06-28 CN disclosed
CN-106008355-B Compound and its purposes as BACE inhibitor 阿斯利康(瑞典)有限公司 2019-05-03 CN disclosed
CN-103380133-B Compounds and their use as BACE inhibitors 阿斯利康(瑞典)有限公司 2016-06-29 CN disclosed
CN-103254137-B 2-(phenyl of replacement)-6-amino-5-alkoxyl group, thio alkoxy and aminoalkyl group pyrimidine-4-carboxylic acid derivative and the purposes as weedicide thereof DOW AGROSCIENCES LLC (US) 2015-09-30 CN disclosed