SCHEMBL21738014

SCHEMBL21738014

CC(=O)N[C@H]1C2CC[C@H]1CN(c1nnc(Br)s1)C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.41
ACACB O00763 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
SMPD3 Q9NY59 1/20 0.32
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
CACNA2D1 P54289 1/20 0.30
EPHX2 P34913 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
SCHEMBL21797678 1.00 GLS (0.41) GLSACACBMEN1POLBKMT2A
SCHEMBL21797680 1.00 GLS (0.41) GLSACACBMEN1POLBKMT2A
SCHEMBL21738050 1.00 GLS (0.41) GLSACACBMEN1POLBKMT2A
SCHEMBL30843360 0.95 GLS (0.40) GLSACACBMEN1POLBKMT2A
SCHEMBL21797357 0.95 GLS (0.40) GLSACACBMEN1POLBKMT2A
SCHEMBL21797358 0.95 GLS (0.40) GLSACACBMEN1POLBKMT2A
SCHEMBL21738019 0.95 GLS (0.40) GLSACACBMEN1POLBKMT2A
SCHEMBL21738025 0.92 GLS (0.39) GLSACACBMEN1POLBKMT2A
SCHEMBL21738234 0.92 GLS (0.39) GLSACACBMEN1POLBKMT2A
SCHEMBL21725085 0.89 GLS (0.38) GLSACACBALDH1A1RAB9A

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-2020036986-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2020-02-20 WO disclosed