SCHEMBL29893121

SCHEMBL29893121

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

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 18/20 0.48
MAPT P10636 1/20 0.47
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45

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
SCHEMBL29893138 0.88 NAMPT (0.53) NAMPTMAPT
SCHEMBL29893191 0.87 NAMPT (0.50) NAMPTMAPT
SCHEMBL27077360 0.85 TACR3 (0.55) NAMPTMAPTROCK2ROCK1
SCHEMBL27077366 0.83 NAMPT (0.51) NAMPTMAPT
SCHEMBL29893608 0.82 TDO2 (0.49) NAMPT
SCHEMBL27077334 0.81 TDO2 (0.44) NAMPTMAPT
SCHEMBL29894100 0.81 ADORA3 (0.46) NAMPTMAPT
SCHEMBL29892985 0.81 KDM4E (0.49) MAPT
SCHEMBL29893836 0.81 SCN9A (0.54) NAMPT
SCHEMBL27077346 0.80 ADRA1D (0.44) NAMPTMAPTROCK2ROCK1

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