SCHEMBL23728722

SCHEMBL23728722

Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)O)C(=S)N2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.58
BRD2 P25440 5/20 0.48
DNER Q8NFT8 2/20 0.48
ADORA3 P0DMS8 1/20 0.46
TSPO P30536 1/20 0.46
BRD3 Q15059 3/20 0.44
BRDT Q58F21 3/20 0.44
CREBBP Q92793 2/20 0.44
HDAC3 O15379 1/20 0.44
JAK2 O60674 1/20 0.44
BRD1 O95696 1/20 0.44
CCL2 P13500 1/20 0.44
HDAC4 P56524 1/20 0.44
EP300 Q09472 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 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
SCHEMBL871494 1.00 BRD4 (0.58) BRD4BRD2DNERADORA3TSPO
SCHEMBL872054 0.89 BRD4 (0.58) BRD4BRD2DNERADORA3TSPO
SCHEMBL18551067 0.89 BRD4 (0.58) BRD4BRD2DNERADORA3TSPO
SCHEMBL23728696 0.89 BRD4 (0.60) BRD4BRD2DNERADORA3TSPO
SCHEMBL881486 0.86 BRD4 (0.64) BRD4BRD2DNERADORA3TSPO
SCHEMBL18199905 0.86 BRD4 (0.64) BRD4BRD2DNERADORA3TSPO
SCHEMBL19172521 0.84 BRD4 (0.55) BRD4BRD2DNERADORA3TSPO
SCHEMBL19465639 0.84 BRD4 (0.55) BRD4BRD2DNERADORA3TSPO
SCHEMBL23348743 0.79 CHRM1 (0.43) BRD4DNERADORA3TSPO
SCHEMBL23810818 0.79 CHRM1 (0.43) BRD4DNERADORA3TSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4100404-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2022-12-14 EP disclosed
WO-2021158707-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2021-08-12 WO disclosed