SCHEMBL21362822

SCHEMBL21362822

CCS(=O)(=O)Cc1ccc(C(=O)c2ccc(C)cc2Cl)c(-c2cn(C)c(=O)cc2[C@H](C)N[S@@+]([O-])C(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
BRD4 O60885 1/20 0.30

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
SCHEMBL21362128 0.92 BRD4 (0.36) BRD4
SCHEMBL20158173 0.92 BAZ2B (0.33) BAZ2BBAZ2ABRD4
SCHEMBL21550034 0.89 ALDH2 (0.31)
SCHEMBL21550035 0.89 ALDH2 (0.31)
SCHEMBL21550036 0.89 ALDH2 (0.31)
SCHEMBL21362024 0.89 CNR2 (0.36) BRD4
SCHEMBL21362284 0.87 BRD4 (0.35) BRD4
SCHEMBL20158131 0.86 BRD4 (0.41) BRD4
SCHEMBL21351838 0.85 BRD4 (0.36) BRD4
SCHEMBL21362108 0.85 BRD4 (0.36) BRD4

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
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 EP disclosed