SCHEMBL30824722

SCHEMBL30824722

CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.50
THRB P10828 1/20 0.50
PIK3CB P42338 3/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CD O00329 1/20 0.44
KMT2A Q03164 1/20 0.44
NAPEPLD Q6IQ20 2/20 0.44
KDM4E B2RXH2 2/20 0.43
HIF1A Q16665 1/20 0.43
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL2129704 1.00 LMNA (0.52) LMNATP53THRBPIK3CBPIK3CA
SCHEMBL2129152 0.93 TP53 (0.46) LMNATP53THRBPIK3CAKMT2A
SCHEMBL2131362 0.93 MEN1 (0.50) LMNATP53THRBKMT2ANAPEPLD
SCHEMBL30796423 0.93 TP53 (0.46) LMNATP53THRBPIK3CAKMT2A
SCHEMBL2128993 0.92 NAPEPLD (0.52) PIK3CBPIK3CAKMT2ANAPEPLDKDM4E
SCHEMBL2129896 0.91 LMNA (0.44) LMNATP53THRBPIK3CBPIK3CA
SCHEMBL2129362 0.91 NAPEPLD (0.45) LMNATP53THRBPIK3CBPIK3CA
SCHEMBL2129978 0.91 ALDH1A1 (0.53) LMNATHRBNAPEPLDKDM4ETSHR
SCHEMBL2134179 0.91 ALDH1A1 (0.43) LMNATP53THRBPIK3CBPIK3CA
SCHEMBL30794667 0.91 ALDH1A1 (0.43) LMNATP53THRBPIK3CBPIK3CA

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-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed