SCHEMBL24176394

SCHEMBL24176394

NC(=O)c1cc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALAD P13716 2/20 0.72
IKBKB O14920 3/20 0.53
MAP4K4 O95819 3/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
CNR1 P21554 1/20 0.42
CASP1 P29466 1/20 0.41
F2 P00734 1/20 0.41
CHUK O15111 1/20 0.41
CDK2 P24941 1/20 0.40
IKBKE Q14164 1/20 0.40
AURKB Q96GD4 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL2652069 0.84 ALAD (1.00) ALADMEN1KMT2AHDAC6CNR1
SCHEMBL15177354 0.82 ALAD (0.72) ALADHDAC6CNR1IKBKEAURKB
SCHEMBL5605556 0.81 HDAC6 (0.62) ALADIKBKBMEN1KMT2AHDAC6
SCHEMBL3196052 0.81 ALAD (0.56) ALADHDAC6MKNK1MKNK2MMP12
SCHEMBL5605301 0.80 MMP12 (0.52) ALADIKBKBMAP4K4HDAC6CASP1
SCHEMBL8342325 0.79 ALAD (0.46) ALADHDAC6CDK2IKBKEAURKB
SCHEMBL6141881 0.79 MMP12 (0.48) ALADHDAC6CDK2IKBKEAURKB
SCHEMBL21563725 0.78 ALAD (0.66) ALADMEN1KMT2AHDAC6CNR1
SCHEMBL13267656 0.78 ALAD (0.66) ALADIKBKBHDAC6CNR1MAPT
SCHEMBL6704697 0.78 ALAD (0.71) ALADCNR1MAPT

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
US-20220002796-A1 QUALITY CONTROL OF LNA OLIGONUCLEOTIDE THERAPEUTICS USING MASSIVELY PARALLEL SEQUENCING ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2022-01-06 US disclosed