SCHEMBL29894100

SCHEMBL29894100

COc1cc(-c2ccc(C(F)(F)F)cc2)nc2cc(C(C)=O)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TDO2 P48775 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
IDO1 P14902 1/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
HTT P42858 1/20 0.44
ACP1 P24666 2/20 0.43
DHODH Q02127 1/20 0.42
RUVBL1 Q9Y265 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CYP1A1 P04798 3/20 0.41
CYP1B1 Q16678 3/20 0.41
NAMPT P43490 1/20 0.40
RAF1 P04049 1/20 0.40

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
SCHEMBL29892985 0.91 KDM4E (0.49) ADORA3SMN1; SMN2TDO2KDM4EALDH1A1
SCHEMBL29893288 0.86 MLYCD (0.44) ADORA3SMN1; SMN2TDO2KDM4EALDH1A1
SCHEMBL29893608 0.86 TDO2 (0.49) ADORA3SMN1; SMN2TDO2KDM4EALDH1A1
SCHEMBL29893836 0.84 SCN9A (0.54) TDO2NAMPT
SCHEMBL27077334 0.82 TDO2 (0.44) TDO2MAPTESR1ESR2DHODH
SCHEMBL27077387 0.82 HDAC4 (0.48) TDO2NAMPT
SCHEMBL27077480 0.82 HDAC4 (0.48) TDO2NAMPT
SCHEMBL29893138 0.82 NAMPT (0.53) MAPTNAMPT
SCHEMBL29893121 0.81 NAMPT (0.48) MAPTNAMPT
SCHEMBL29893384 0.81 KDM4E (0.50) SMN1; SMN2TDO2KDM4EALDH1A1IDO1

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