SCHEMBL23937860

SCHEMBL23937860

Cc1ncc(OC(C)C)c(O)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.35
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
GRM5 P41594 1/20 0.32
TLR8 Q9NR97 1/20 0.31
MCHR1 Q99705 1/20 0.31
XDH P47989 1/20 0.31
MAPT P10636 1/20 0.30
IRAK4 Q9NWZ3 2/20 0.30
LMNA P02545 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
SCHEMBL20631602 0.82 MEN1 (0.33) MEN1POLBKMT2ATRPM8TLR8
SCHEMBL1916331 0.79 MEN1 (0.35) MEN1POLBKMT2ATRPM8TLR8
SCHEMBL9045721 0.78 P2RX3 (0.37) MEN1POLBKMT2AP2RX3P2RX2
SCHEMBL5494945 0.72 HTT (0.37) MEN1POLBKMT2AMAPTLMNA
SCHEMBL16369426 0.71 HSP90AA1 (0.38) P2RX3P2RX2LMNA
SCHEMBL20665383 0.70 TRPM8 (0.65) MEN1POLBKMT2ATRPM8MAPT
SCHEMBL6828222 0.69 TRPM8 (0.41) TRPM8TLR8MCHR1XDHMAPT
SCHEMBL23937861 0.69 L3MBTL1 (0.38) MEN1KMT2AMAPT
SCHEMBL3396456 0.68
SCHEMBL29808066 0.68

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
EP-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 EP disclosed