SCHEMBL29893591

SCHEMBL29893591

Cc1nc2ccc(C(=O)O)cc2nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 3/20 0.63
GAA P10253 3/20 0.63
HPGD P15428 2/20 0.63
MAPT P10636 2/20 0.63
TDP1 Q9NUW8 1/20 0.60
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CDH1 P12830 1/20 0.56
APC P25054 1/20 0.56
CTNNB1 P35222 1/20 0.56
TCF7L2 Q9NQB0 1/20 0.56
DHODH Q02127 4/20 0.51
PTGFR P43088 1/20 0.48
MAPK1 P28482 2/20 0.46
MAP2K4 P45985 2/20 0.46
MAPK6 Q16659 2/20 0.46
MAPKAPK3 Q16644 1/20 0.46
MAPKAPK5 Q8IW41 1/20 0.46

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
SCHEMBL15665471 0.87 HPGD (0.76) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL15665964 0.84 ALDH1A1 (0.79) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL17996846 0.84 ALDH1A1 (0.79) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL9953732 0.83 CDH1 (0.81) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL12099913 0.80 ALDH1A1 (0.51) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL27077519 0.79 POLB (0.49) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL29892834 0.79 HDAC4 (0.53) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL15666702 0.78 ALDH1A1 (1.00) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL15384703 0.77 KDM4E (0.47) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL27077439 0.77 P2RY14 (0.48) KDM4EALDH1A1GAAHPGDMAPT

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