SCHEMBL23073045

SCHEMBL23073045

CC[S+]([O-])Nc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1nnn2Cc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.49
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL18164242 0.85 HPGD (0.39) BRD4TSHRHPGDMEN1KMT2A
SCHEMBL18152893 0.84 BRD4 (0.54) BRD4
SCHEMBL18528948 0.82 BRD4 (0.60) BRD4
SCHEMBL23073149 0.81 BRD4 (0.56) BRD4TSHRHPGDMEN1KMT2A
SCHEMBL23473063 0.76 BRD4 (0.49) BRD4
SCHEMBL23473011 0.76 BRD4 (0.45) BRD4
SCHEMBL23473022 0.76 BRD4 (0.41) BRD4
SCHEMBL23073126 0.76 BRD4 (0.47) BRD4
SCHEMBL23473025 0.76 BRD4 (0.49) BRD4
SCHEMBL23073066 0.76 BRD4 (0.49) 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-3283077-B1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2021-03-10 EP disclosed