SCHEMBL28680864

SCHEMBL28680864

CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)OCc2ccccc2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
RORC P51449 1/20 0.47
SYK P43405 1/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 1/20 0.44
MGLL Q99685 3/20 0.44
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
IDO1 P14902 2/20 0.43
HTT P42858 1/20 0.43
NQO2 P16083 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 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
SCHEMBL19212041 0.87 PTGDR2 (0.51) PTGDR2MAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL22957446 0.83 SMN1; SMN2 (0.50) PTGDR2MAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL13193091 0.82 MGLL (0.51) PTGDR2RORCSYKMAPTSMN1; SMN2
SCHEMBL7043026 0.78 POLB (0.62) SYKMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL19210898 0.78 LMNA (0.52) MAPTSMN1; SMN2NPC1LMNAIDO1
SCHEMBL28687598 0.78 LMNA (0.52) MAPTSMN1; SMN2LMNAIDO1HTT
SCHEMBL29707309 0.78 LMNA (0.52) MAPTSMN1; SMN2NPC1LMNAIDO1
SCHEMBL6560301 0.78 LMNA (0.52) MAPTSMN1; SMN2LMNAIDO1HTT
SCHEMBL6680791 0.78 NQO2 (0.44) MAPTSMN1; SMN2ALDH1A1LMNAIDO1
SCHEMBL27493607 0.78 NQO2 (0.44) MAPTSMN1; SMN2ALDH1A1TP53IDO1

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
EP-3414252-B1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO HEALTH INC (US) 2022-07-06 EP disclosed
CN-109071560-B Thienopyridine carboxamides as ubiquitin-specific protease inhibitors 瓦洛健康公司 2022-01-14 CN disclosed