SCHEMBL28527360

SCHEMBL28527360

CC(C)(C)c1ccc(C(=O)Nc2[c]c(OS(=O)(=O)C(F)(F)F)ccc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
RXFP1 Q9HBX9 2/20 0.46
MAPK14 Q16539 1/20 0.33
YEATS4 O95619 1/20 0.33
ACKR3 P25106 1/20 0.33
DAO P14920 1/20 0.32
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL15020022 0.73 RXFP1 (0.43) NPC1RAB9ARXFP1MAPK14ACKR3
SCHEMBL28532317 0.71 RXFP1 (0.41) NPC1RAB9ARXFP1MAPK14ACKR3
SCHEMBL15020021 0.67 KDM4E (0.48) NPC1RAB9ARXFP1KDM4E
SCHEMBL15020163 0.67 KDM4E (0.48) NPC1RAB9ARXFP1KDM4E
SCHEMBL22384253 0.64 MAPT (0.41) KDM4EMEN1MAPTKMT2AATM
SCHEMBL12265872 0.63 RAB9A (0.59) NPC1RAB9ARXFP1MAPK14YEATS4
SCHEMBL2405269 0.62 NPC1 (0.72) NPC1RAB9ARXFP1PPARGNCOA2
SCHEMBL12529291 0.62 L3MBTL1 (0.60) NPC1RAB9ARXFP1SMN1; SMN2TSHR
SCHEMBL12265900 0.62 NPC1 (0.55) NPC1RAB9ARXFP1YEATS4SMN1; SMN2
SCHEMBL27724862 0.62 L3MBTL1 (0.43) NPC1RAB9ASMN1; SMN2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074820-B GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-05-18 CN disclosed
CN-112457301-A Novel GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-03-09 CN disclosed