SCHEMBL30760741

SCHEMBL30760741

NC(=O)c1ccc2c(c1)NC(=O)C2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 5/20 0.58
CRBN Q96SW2 2/20 0.57
AHR P35869 3/20 0.56
CMA1 P23946 2/20 0.56
EIF2AK2 P19525 1/20 0.54
TDP2 O95551 3/20 0.54
PDK2 Q15119 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HSD11B1 P28845 2/20 0.44

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
SCHEMBL3194345 1.00 SMYD3 (0.58) SMYD3CRBNAHRCMA1EIF2AK2
Hydrochloric Acid SCHEMBL29528151 0.98 SMYD3 (0.57) SMYD3CRBNAHRCMA1EIF2AK2
SCHEMBL3573876 0.90 SMYD3 (0.56) SMYD3CRBNAHRCMA1EIF2AK2
SCHEMBL3581639 0.89 TDP2 (0.55) SMYD3CRBNAHRCMA1EIF2AK2
SCHEMBL29567045 0.88 SMYD3 (0.57) SMYD3AHRTDP2HDAC3
SCHEMBL3190474 0.88 SMYD3 (0.57) SMYD3AHRTDP2HDAC3
Hydrochloric Acid SCHEMBL28849276 0.86 SMYD3 (0.56) SMYD3AHRTDP2HDAC3
SCHEMBL398818 0.86 TDP2 (0.66) SMYD3CRBNAHRCMA1EIF2AK2
SCHEMBL29713338 0.86 TDP2 (0.66) SMYD3CRBNAHRCMA1EIF2AK2
SCHEMBL29899565 0.85 TDP2 (0.72) SMYD3CRBNAHRCMA1TDP2

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
CN-117321418-A Cancer biomarkers and methods of use thereof 诺华股份有限公司 2023-12-29 CN disclosed