SCHEMBL7686859

SCHEMBL7686859

CC(=O)N1c2ccc(-c3csc(C#N)c3)cc2C(C)(C)CC1C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 13/20 0.68
NR3C1 P04150 4/20 0.41
NR3C2 P08235 3/20 0.41
AR P10275 3/20 0.41
NOTUM Q6P988 1/20 0.32
HSD17B3 P37058 2/20 0.32
BRD4 O60885 2/20 0.31
BRD2 P25440 2/20 0.31
BRD3 Q15059 2/20 0.31

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
SCHEMBL6770387 0.81 PGR (1.00) PGRNR3C1NR3C2AR
SCHEMBL6770069 0.65 PGR (1.00) PGRNR3C1NR3C2AR
SCHEMBL27545111 0.61 PGR (0.71) PGRNR3C1NR3C2AR
SCHEMBL3872257 0.58 PGR (1.00) PGRNR3C1NR3C2AR
SCHEMBL3135050 0.57 ALOX15 (0.55) PGRNR3C1NR3C2ARBRD4
SCHEMBL27475124 0.57 PGR (0.60) PGRNR3C1NR3C2AR
SCHEMBL6769679 0.57 PGR (0.98) PGRNR3C1NR3C2AR
SCHEMBL6772265 0.57 PGR (1.00) PGRNR3C1NR3C2AR
SCHEMBL6770186 0.57 PGR (1.00) PGRNR3C1NR3C2AR
SCHEMBL27340100 0.56 PTGS2 (0.45) PGRNR3C1NR3C2AR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175404-A1 QUINAZOLINONE AND BENZOXAZINE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS American Home Products Corporation (US) 2002-01-30 EP disclosed
WO-2000066560-A1 QUINAZOLINONE AND BENZOXAZINE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed