SCHEMBL25976504

SCHEMBL25976504

C=CC(=O)N1CCC(C)N(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 4/20 0.38
TEAD3 Q99594 2/20 0.38
BTK Q06187 6/20 0.36
TET3 O43151 1/20 0.34
KMT2A Q03164 1/20 0.34
FBXL19 Q6PCT2 1/20 0.34
CXXC5 Q7LFL8 1/20 0.34
TET1 Q8NFU7 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
CXXC4 Q9H2H0 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
JAK3 P52333 7/20 0.34

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
SCHEMBL19909714 0.83 CHRM1 (0.42) BTKJAK3
SCHEMBL22704583 0.83 CHRM1 (0.42) BTKJAK3
SCHEMBL22970007 0.83 CHRM1 (0.42) BTKJAK3
SCHEMBL463245 0.80 ALDH1A1 (0.48) TEAD1TEAD3TET3KMT2AFBXL19
SCHEMBL25200465 0.78 ALDH1A1 (0.43) TEAD1TEAD3KMT2A
SCHEMBL22296232 0.78 ALDH1A1 (0.43) TEAD1TEAD3KMT2A
SCHEMBL17099705 0.76 TEAD1 (0.44) TEAD1TEAD3BTKTET3KMT2A
SCHEMBL237862 0.74
SCHEMBL12764449 0.74 TET3 (0.47) TEAD1TEAD3TET3KMT2AFBXL19
SCHEMBL167151 0.74 TET3 (0.47) TEAD1TEAD3TET3KMT2AFBXL19

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-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed