SCHEMBL24501924

SCHEMBL24501924

CNS(=O)(=O)c1cnc(N)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TNNI3K Q59H18 2/20 0.38
BRAF P15056 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA9 Q16790 1/20 0.37
S100A9 P06702 1/20 0.37
ALOX5AP P20292 1/20 0.37
MEN1 O00255 1/20 0.37
ATR Q13535 1/20 0.36
ATRIP Q8WXE1 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL22718045 0.79 ALDH1A1 (0.58) HTTKMT2AALDH1A1S100A9GAA
SCHEMBL29267262 0.79 PARG (0.44) HTTKMT2A
SCHEMBL29267304 0.77 HTT (0.50) HTTKMT2ANPC1ALDH1A1CA1
SCHEMBL31275351 0.77 HTT (0.50) HTTKMT2AALDH1A1CA1CA2
SCHEMBL1370997 0.77 HTT (0.50) HTTKMT2AALDH1A1CA1CA2
SCHEMBL11682482 0.76 CA1 (0.59) HTTALDH1A1CA1CA2CA3
SCHEMBL28645824 0.75 HTT (0.48) HTTKMT2ANPC1ALDH1A1CA1
Bromide SCHEMBL7392827 0.75 HTT (0.48) HTTKMT2AALDH1A1CA1CA2
SCHEMBL29045347 0.75 HTT (0.48) HTTKMT2AALDH1A1CA1CA2
SCHEMBL7392823 0.74 HTT (0.47) HTTKMT2ANPC1ALDH1A1CA1

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-2022120355-A1 TEAD DEGRADERS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 WO disclosed