SCHEMBL21674709

SCHEMBL21674709

CC1CN(C(=O)c2ccco2)c2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2N1C

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 10/20 0.79
▸ NR3C1 P04150 7/20 0.42
▸ HTT P42858 1/20 0.39

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
SCHEMBL16721631 0.89 BRD4 (0.78) BRD4NR3C1HTT
SCHEMBL16722686 0.89 BRD4 (0.78) BRD4NR3C1HTT
SCHEMBL16721748 0.88 BRD4 (1.00) BRD4NR3C1
SCHEMBL16721284 0.88 BRD4 (1.00) BRD4NR3C1
SCHEMBL16722434 0.88 BRD4 (0.86) BRD4NR3C1
SCHEMBL16721229 0.87 BRD4 (0.84) BRD4NR3C1HTT
SCHEMBL16722031 0.87 BRD4 (0.75) BRD4NR3C1HTT
SCHEMBL16722033 0.87 BRD4 (0.75) BRD4NR3C1HTT
SCHEMBL21674955 0.87 BRD4 (0.88) BRD4NR3C1HTT
SCHEMBL16722227 0.87 BRD4 (0.88) BRD4NR3C1HTT

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-3071205-B1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS INC (US) 2020-02-05 — — EP disclosed
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