SCHEMBL24460269

SCHEMBL24460269

CC(C)Oc1ccc(I)cc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.49
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
CSNK2A1 P68400 2/20 0.36
TRPV3 Q8NET8 1/20 0.36
NAAA Q02083 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RX3 P56373 9/20 0.34
RORC P51449 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL5745812 0.79 MEN1 (0.50) SLC6A4KCNQ3KCNQ2CSNK2A1TRPV3
SCHEMBL21057196 0.79 TSHR (0.49) SLC6A4MEN1MAPTHPGDKMT2A
SCHEMBL21057197 0.79 TSHR (0.49) SLC6A4MEN1MAPTHPGDKMT2A
SCHEMBL12009 0.78 P2RX3 (0.41) KCNQ3KCNQ2CSNK2A1TRPV3NAAA
SCHEMBL6112972 0.78 TSHR (0.39) CSNK2A1MAPTRORC
SCHEMBL28651200 0.77 PDE4A (0.35) SLC6A4CSNK2A1HPGD
SCHEMBL425685 0.77 RAB9A (0.50) SLC6A4MEN1KMT2ABCHEACHE
SCHEMBL6113174 0.76 XDH (0.38) CSNK2A1MAPTL3MBTL1RORC
SCHEMBL4152456 0.76 PDE4B (0.42) CSNK2A1MAPTHPGDACHE
SCHEMBL2851014 0.76 ALOX15 (0.37) CSNK2A1MAPTRORC

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-2022108849-A1 HETEROCYCLIC COMPOUNDS AS THERAPEUTIC AGENTS ARISAN THERAPEUTICS INC. (US) 2022-05-27 WO disclosed