SCHEMBL20407397

SCHEMBL20407397

CNc1ccc2c(c1)OC(C)(C)C(=O)N2c1ccc(F)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.74
BRD4 O60885 3/20 0.40
AR P10275 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
XIAP P98170 1/20 0.36
BIRC2 Q13490 1/20 0.36
PGR P06401 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SLC9A1 P19634 1/20 0.34
MGLL Q99685 1/20 0.34
HSD11B1 P28845 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
SCHEMBL20407295 0.89 NR3C2 (0.73) NR3C2BRD4ARCACNA1BAPBA1
SCHEMBL19308740 0.86 NR3C2 (0.70) NR3C2BRD4ARCACNA1BAPBA1
SCHEMBL16982354 0.86 NR3C2 (0.70) NR3C2BRD4ARCACNA1BAPBA1
SCHEMBL16978176 0.86 NR3C2 (0.70) NR3C2BRD4ARCACNA1BAPBA1
Mt-3995 SCHEMBL753911 0.85 NR3C2 (1.00) NR3C2BRD4AR
SCHEMBL753703 0.84 NR3C2 (0.81) NR3C2BRD4ARCACNA1BAPBA1
SCHEMBL20068315 0.84 NR3C2 (0.67) NR3C2BRD4ARCACNA1BAPBA1
SCHEMBL754718 0.83 NR3C2 (0.80) NR3C2BRD4AR
SCHEMBL16978177 0.83 NR3C2 (0.65) NR3C2ARCACNA1BAPBA1PGR
SCHEMBL753732 0.83 NR3C2 (0.78) NR3C2BRD4ALDH1A1

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-3112354-B1 METHOD FOR PRODUCING 1,4-BENZOXAZINE COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2018-07-25 EP disclosed