SCHEMBL28311752

SCHEMBL28311752

N#Cc1cccc(C(F)(F)F)c1.OBO

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
GRM5 P41594 3/20 0.45
VNN1 O95497 1/20 0.44
PTPN5 P54829 1/20 0.44
KIF11 P52732 1/20 0.44
CTSS P25774 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
ENPP2 Q13822 1/20 0.43
CES2 O00748 1/20 0.43
MGLL Q99685 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
FFAR1 O14842 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL440276 0.92 KIF11 (0.50) MRGPRX4RXFP1GRM5VNN1PTPN5
SCHEMBL29421430 0.92 KIF11 (0.50) MRGPRX4RXFP1GRM5VNN1PTPN5
Hydrochloric Acid SCHEMBL27358839 0.90 MRGPRX4 (0.49) MRGPRX4RXFP1GRM5VNN1PTPN5
Formic Acid SCHEMBL29983913 0.86 MRGPRX4 (0.47) MRGPRX4RXFP1GRM5VNN1PTPN5
SCHEMBL11092767 0.85 KIF11 (0.63) MRGPRX4RXFP1GRM5VNN1PTPN5
Trifluoroacetic Acid SCHEMBL27502598 0.84 FFAR1 (0.52) RXFP1VNN1PTPN5L3MBTL1PTGDR2
Ammonia Solution, Strong SCHEMBL3947903 0.84 MRGPRX4 (0.48) MRGPRX4RXFP1GRM5VNN1PTPN5
SCHEMBL27501231 0.82 KIF11 (0.50) MRGPRX4RXFP1GRM5VNN1KIF11
SCHEMBL3836507 0.81 CTSS (0.55) MRGPRX4PTPN5KIF11CTSSPTGDR2
SCHEMBL5786032 0.80 ENPP2 (0.56) ENPP2GRIN1GRIN2BTSHRFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110016011-A Amide derivatives and its medical usage 泰州华元医药科技有限公司 2019-07-16 CN disclosed