SCHEMBL9599303

SCHEMBL9599303

O=C1COc2ccc(N3C(=O)C4=C(CCCC4)C3=O)c(F)c2N1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.38
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PARP1 P09874 1/20 0.35
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
MMP12 P39900 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 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
SCHEMBL7968012 0.74 TP53 (0.42) NR3C2ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL4095480 0.73 MMP12 (0.44) NR3C2ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL7954932 0.72 ALDH1A1 (0.34) NR3C2ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL15053068 0.71 DRD2 (0.43) NR3C2ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL8182873 0.70 NR3C2 (0.42) NR3C2ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL14080066 0.70 MMP12 (0.49) NR3C2KMT2ASMN1; SMN2HTR1AHTR1D
SCHEMBL7977940 0.70 NR3C2 (0.50) NR3C2ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL7966147 0.69 MAPT (0.32) NR3C2NPSR1
SCHEMBL24775925 0.67 HTR1A (0.43) NR3C2ALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL15052486 0.67 MAPT (0.44) NR3C2ALDH1A1HTR1AHTR1DHTR1B

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
JP-5345781-A None JP disclosed
JP-H05345781-A BENZOXAZINE DERIVATIVE SUMITOMO CHEM CO LTD 1993-12-27 JP disclosed