SCHEMBL31410097

SCHEMBL31410097

CCOC(=O)c1cc2c(-c3cc(NS(=O)(=O)CC)ccc3Oc3ccc(F)cc3F)cn(C)c(=O)c2[nH]1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.76
BRD2 P25440 1/20 0.69
ADORA2B P29275 1/20 0.69
TSPO P30536 1/20 0.69
EP300 Q09472 1/20 0.69
BRD3 Q15059 1/20 0.69
BRDT Q58F21 1/20 0.69

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
SCHEMBL15069188 0.93 BRD4 (0.68) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL15069423 0.91 BRD4 (0.80) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL29437636 0.91 BRD4 (0.80) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL15069275 0.91 BRD4 (0.78) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL15771379 0.90 BRD4 (0.63) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL25807335 0.89 BRD4 (0.75) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL29437638 0.87 BRD4 (0.73) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL28711505 0.87 BRD4 (0.73) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL15069510 0.87 BRD4 (0.79) BRD4
SCHEMBL15069596 0.87 BRD4 (1.00) BRD4BRD2ADORA2BTSPOEP300

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025076236-A1 METHODS AND COMPOUNDS FOR MODULATING HUNTINGTON'S DISEASE Design Therapeutics, Inc. (US) 2025-04-10 WO disclosed
WO-2025076219-A1 METHODS AND COMPOUNDS FOR MODULATING HUNTINGTON'S DISEASE Design Therapeutics, Inc. (US) 2025-04-10 WO disclosed
WO-2025076181-A1 METHODS AND COMPOUNDS FOR MODULATING HUNTINGTON'S DISEASE Design Therapeutics, Inc. (US) 2025-04-10 WO disclosed