SCHEMBL28346707

SCHEMBL28346707

Cc1nn(-c2nc(-c3ccc(C(F)(F)F)cc3)c(C=CC(=O)OC(C)(C)C)s2)c(C(=O)O)c1I

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.34
PPARA Q07869 9/20 0.34
PPARD Q03181 9/20 0.34
PPARG P37231 6/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
FFAR1 O14842 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
PTPN1 P18031 1/20 0.31
ENPP2 Q13822 1/20 0.31
DHODH Q02127 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
XDH P47989 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
SCHEMBL20214039 0.92 CA12 (0.32) PPARAPPARDPPARGALDH1A1KDM4E
SCHEMBL21542468 0.92 CA12 (0.32) PPARAPPARDPPARGALDH1A1KDM4E
SCHEMBL29231402 0.85 PPARD (0.35) PTGER1PPARAPPARDPPARGFFAR1
SCHEMBL28344327 0.83 ALDH1A1 (0.37) PTGER1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30829491 0.79 PPARD (0.33) PPARAPPARDPPARGALDH1A1KDM4E
SCHEMBL21542457 0.79 KDM4E (0.33) PTGER1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20214017 0.79 KDM4E (0.33) PTGER1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL28343823 0.76 PTGER1 (0.38) PTGER1PPARAPPARDPPARGALDH1A1
SCHEMBL20213964 0.76 ALDH1A1 (0.34) PTGER1PPARDALDH1A1KDM4EMEN1
SCHEMBL20213979 0.73 ALDH1A1 (0.38) PTGER1PPARDALDH1A1KDM4EMEN1

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-110603254-A Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2019-12-20 CN disclosed