SCHEMBL1670817

SCHEMBL1670817

Cc1noc(C)c1-c1c(-c2ccc(O)cc2)c(Br)n(C)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.40
BRD4 O60885 11/20 0.39
USP30 Q70CQ3 2/20 0.39
BRD2 P25440 1/20 0.38
AR P10275 3/20 0.38
ERN1 O75460 1/20 0.36
NAAA Q02083 1/20 0.35
CREBBP Q92793 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
SCHEMBL1670920 0.86 PTGS2 (0.47) BRD4BRD2CREBBP
SCHEMBL1670795 0.83 AR (0.44) MLYCDBRD4USP30BRD2AR
SCHEMBL12800382 0.81 MLYCD (0.42) MLYCDBRD4BRD2ERN1CREBBP
SCHEMBL1670383 0.80 BRD4 (0.40) MLYCDBRD4USP30BRD2AR
SCHEMBL1670503 0.80 AR (0.39) AR
SCHEMBL1670622 0.79 ERN1 (0.39) MLYCDBRD4USP30BRD2AR
SCHEMBL1672131 0.79 BRD4 (0.37) MLYCDBRD4USP30BRD2AR
SCHEMBL12800379 0.78 MLYCD (0.39) MLYCDBRD4USP30BRD2ERN1
SCHEMBL1672207 0.78 AR (0.38) AR
SCHEMBL1682484 0.77 BRD4 (0.40) MLYCDBRD4USP30BRD2AR

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
WO-2011042477-A1 SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed