SCHEMBL22453515

SCHEMBL22453515

CN(c1ccc(C2CC3CCC2C3)cc1)c1ccc(N)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A3 Q01959 9/20 0.38
SLC6A4 P31645 7/20 0.31
SLC6A2 P23975 1/20 0.30

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
SCHEMBL22452598 0.86 MEN1 (0.43) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL22453196 0.83 KMT2A (0.45) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL22453700 0.75 BACE1 (0.38) MEN1GAAKMT2A
SCHEMBL900460 0.71 MEN1 (0.66) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL21409728 0.70 MEN1 (0.56) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL29294171 0.69 MEN1 (0.57) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL23339624 0.66 MEN1 (0.49) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL22453357 0.66 KIF11 (0.41) GAASLC6A3SLC6A4SLC6A2
SCHEMBL22452606 0.66 ALDH1A1 (0.38)
SCHEMBL13086071 0.65 GAA (0.73) MEN1POLBGAAKMT2ASLC6A3

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-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 WO disclosed