SCHEMBL21958728

SCHEMBL21958728

C=CC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 6/20 0.59
BTK Q06187 3/20 0.55
EPHX2 P34913 1/20 0.54
TP53 P04637 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
EGFR P00533 4/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
MGLL Q99685 1/20 0.47
ABHD6 Q9BV23 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
FFAR1 O14842 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
SCHEMBL21958727 1.00 TEAD1 (0.59) TEAD1BTKEPHX2TP53MEN1
SCHEMBL21958740 0.94 TEAD1 (0.53) TEAD1BTKEPHX2TP53MEN1
SCHEMBL12184249 0.86 EPHX2 (0.56) EPHX2TP53MEN1KMT2ASLC6A2
SCHEMBL10607268 0.86 EPHX2 (0.59) BTKEPHX2TP53MEN1KMT2A
SCHEMBL25785238 0.85 BTK (0.49) TEAD1BTKEPHX2MEN1KMT2A
SCHEMBL2636858 0.84 EPHX2 (0.54) BTKEPHX2TP53MEN1KMT2A
SCHEMBL2636860 0.83 EPHX2 (0.53) BTKEPHX2TP53MEN1KMT2A
SCHEMBL9900709 0.82 USP30 (0.56) EPHX2TP53MEN1KMT2ASLC6A2
SCHEMBL9903075 0.82 EPHX2 (0.65) EPHX2TP53MEN1KMT2ASLC6A2
SCHEMBL22446295 0.81 TEAD1 (0.49) TEAD1BTKEPHX2TP53MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020081572-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 WO disclosed