SCHEMBL29892708

SCHEMBL29892708

COC(=O)c1ccc2c(OC)cc(-c3ccc(C(F)(F)F)cc3-c3ccccc3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
NAMPT P43490 2/20 0.42
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
PTGS2 P35354 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
EGFR P00533 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DHODH Q02127 2/20 0.39
NCS1 P62166 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL27077496 0.92 KDM4E (0.46) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL29893923 0.92 KDM4E (0.46) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL29892962 0.87 TLR2 (0.45) ALDH1A1KDM4ELMNANAMPTTLR2
SCHEMBL29893144 0.85 NOTUM (0.44) ALDH1A1KDM4ELMNANAMPTTLR2
SCHEMBL25981004 0.82 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL27077390 0.80 KDM4E (0.43) KDM4ENAMPTMEN1KMT2ATDP1
SCHEMBL29893417 0.79 LMNA (0.47) ALDH1A1KDM4ELMNANAMPTTLR2
SCHEMBL31212371 0.78 NPC1 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL25983146 0.78 NPC1 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL27077449 0.78 TLR2 (0.54) TLR2TLR1RAF1BRAF

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-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 WO disclosed