SCHEMBL8036320

SCHEMBL8036320

Cc1cc(C#N)cc(F)c1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 5/20 0.40
TTR P02766 2/20 0.37
ALB P02768 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP2A6 P11509 1/20 0.36
GRM5 P41594 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
KIF11 P52732 1/20 0.32
EPAS1 Q99814 1/20 0.31
VCAM1 P19320 1/20 0.30

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
SCHEMBL410438 0.88 TTR (0.41) EGLN2TTRALBALDH1A1CYP2A6
SCHEMBL6954472 0.83 TTR (0.44) EGLN2TTRALBALDH1A1CYP2A6
SCHEMBL9224719 0.82 EGLN2 (0.40) EGLN2TTRALBALDH1A1CYP2A6
SCHEMBL11981507 0.80 TRPV4 (0.38) EGLN2TTRALBALDH1A1CYP2A6
SCHEMBL13641418 0.78 EGLN2 (0.36) EGLN2TTRALBALDH1A1CYP2A6
SCHEMBL15321453 0.78 TTR (0.43) EGLN2TTRALBALDH1A1CYP2A6
SCHEMBL12594013 0.78 TTR (0.48) EGLN2TTRALBALDH1A1CYP2A6
SCHEMBL22003181 0.78 TTR (0.54) EGLN2TTRALBALDH1A1CYP2A6
SCHEMBL15321404 0.78 EGLN2 (0.38) EGLN2TTRALBALDH1A1CYP2A6
SCHEMBL26351413 0.78 TRPV4 (0.34) EGLN2TTRALBALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022095904-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京伯汇生物技术有限公司 2022-05-12 WO disclosed
WO-2009099177-A1 AMINO IMIDAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-08-13 WO disclosed
EP-1956020-A2 1-[2-(heterocyclyl-aminomethyl)-piperidin-1-YL]-1-(2-methyl-5-phenyl-heterocyclyl)-methanone derivatives and related compounds as orexin-1 antagonists for the treatment of obesity SMITHKLINE BEECHAM PLC (GB) 2008-08-13 EP disclosed
EP-1615909-B1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
EP-1385845-B1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2008-01-09 EP disclosed