SCHEMBL21362620

SCHEMBL21362620

CC[C@H](N[SH]=O)c1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)c(F)cc1C(=O)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.38
PGR P06401 1/20 0.34

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
SCHEMBL20157669 0.86 BRD4 (0.37) BRD4
SCHEMBL21362239 0.85 BRD4 (0.42) BRD4PGR
SCHEMBL21362208 0.85 BRD4 (0.36) BRD4
SCHEMBL20157653 0.83 BRD4 (0.38) BRD4
SCHEMBL21362256 0.81 BRD4 (0.38) BRD4
SCHEMBL21362258 0.80 BRD4 (0.37) BRD4
SCHEMBL21362618 0.79 BRD4 (0.35) BRD4
SCHEMBL21362205 0.79 BRD4 (0.36) BRD4
SCHEMBL21362165 0.78 BRD4 (0.36) BRD4
SCHEMBL21362045 0.78 BRD4 (0.35) 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