SCHEMBL28689451

SCHEMBL28689451

[O-][n+]1cccc(Oc2ccc(F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.46
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
GPR84 Q9NQS5 9/20 0.43
HSPB1 P04792 1/20 0.42
NR3C1 P04150 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
TDO2 P48775 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL31220874 1.00 SOS1 (0.46) SOS1FFAR1FFAR4GPR84HSPB1
SCHEMBL7263349 0.84 LTA4H (0.52) SOS1GPR84LTA4HLMNAL3MBTL1
SCHEMBL8804025 0.82 MMP14 (0.42) GPR84TDO2ALDH1A1MMP2MMP9
SCHEMBL11546405 0.81 GPR84 (0.58) GPR84NR3C1ALDH1A1LMNAMMP2
SCHEMBL26416085 0.81 HTT (0.51) FFAR1GPR84NR3C1LTA4HALDH1A1
SCHEMBL11544719 0.79 PARP10 (0.41) GPR84HSPB1TDO2ALDH1A1L3MBTL1
SCHEMBL6754325 0.77 CYP19A1 (0.49) GPR84NR3C1LMNA
SCHEMBL5593078 0.76 SLC6A2 (0.42) GPR84TDO2ALDH1A1
SCHEMBL6755608 0.75 PARP10 (0.41) SOS1GPR84ALDH1A1
SCHEMBL255272 0.73 LTA4H (0.67) SOS1FFAR1FFAR4HSPB1NR3C1

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
CN-113286783-A Method for producing chlorobenzene compound 住友化学株式会社 2021-08-20 CN disclosed