SCHEMBL29893144

SCHEMBL29893144

COC(=O)c1ccc2c(OC)cc(-c3ccc(C(F)(F)F)cc3Br)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
NAMPT P43490 7/20 0.42
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
KDR P35968 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NCS1 P62166 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL29892962 0.90 TLR2 (0.45) NOTUMTLR2TLR1NAMPTKDM4E
SCHEMBL29892708 0.85 SMN1; SMN2 (0.44) TLR2TLR1NAMPTKDM4EALDH1A1
SCHEMBL29893417 0.83 LMNA (0.47) NOTUMTLR2TLR1NAMPTKDM4E
SCHEMBL27077390 0.80 KDM4E (0.43) NAMPTKDM4EERAP2ERAP1MRGPRX4
SCHEMBL27077449 0.80 TLR2 (0.54) TLR2TLR1
SCHEMBL29892946 0.79 MRGPRX4 (0.42) NOTUMCYP1A1CYP1B1KDM4EALDH1A1
SCHEMBL27077496 0.77 KDM4E (0.46) NAMPTKDM4EALDH1A1LMNA
SCHEMBL29893923 0.77 KDM4E (0.46) NAMPTKDM4EALDH1A1LMNA
SCHEMBL31212371 0.76 NPC1 (0.47) NAMPTKDM4EALDH1A1LMNA
SCHEMBL25983146 0.76 NPC1 (0.47) NAMPTKDM4EALDH1A1LMNA

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