SCHEMBL23073142

SCHEMBL23073142

CC[S+]([O-])c1cc(-c2cc(OC)c(=O)n(C)c2)cc2c1nc(C)n2CC1CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.36
BAZ2A Q9UIF9 2/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
BRD9 Q9H8M2 5/20 0.36
BRD2 P25440 1/20 0.34
BRD7 Q9NPI1 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CRHR1 P34998 1/20 0.33
MAP3K11 Q16584 1/20 0.33

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
SCHEMBL23073148 0.89 BRD4 (0.46) BRD4BAZ2A
SCHEMBL18538435 0.85 BRD4 (0.45) BRD4BAZ2AGRIN1GRIN2BBRD9
SCHEMBL23073049 0.83 BRD4 (0.43) BRD4
SCHEMBL18152741 0.83 CNR2 (0.39) BRD4BAZ2AGRIN1GRIN2BBRD9
SCHEMBL23073143 0.82 GRIN1 (0.39) BRD4BAZ2AGRIN1GRIN2BBRD9
SCHEMBL23473037 0.80 BRD4 (0.48) BRD4BAZ2A
SCHEMBL18541952 0.79 BRD4 (0.51) BRD4BAZ2AGRIN1GRIN2BBRD9
SCHEMBL18541951 0.78 BRD4 (0.36) BRD4BAZ2AGRIN1GRIN2BBRD9
SCHEMBL20158761 0.75 BRD4 (0.54) BRD4BAZ2A
SCHEMBL23073061 0.75 MAP3K11 (0.35) BRD4BAZ2AGRIN1GRIN2BBRD9

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