SCHEMBL11544719

SCHEMBL11544719

[O-][n+]1cccc(Oc2ccccc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.41
GPR84 Q9NQS5 4/20 0.40
FDFT1 P37268 2/20 0.36
TDO2 P48775 1/20 0.35
DAO P14920 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CXCL8 P10145 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ESR1 P03372 1/20 0.35
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSPB1 P04792 1/20 0.35
RHEB Q15382 1/20 0.34
FAAH O00519 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
SCHEMBL11458026 0.79 GPR84 (0.44) GPR84SLC6A2SLC6A3
SCHEMBL11542907 0.79 HTT (0.55) GPR84L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL28689451 0.79 SOS1 (0.46) GPR84TDO2L3MBTL1ALDH1A1HSPB1
SCHEMBL31220874 0.79 SOS1 (0.46) GPR84TDO2L3MBTL1ALDH1A1HSPB1
SCHEMBL7263349 0.77 LTA4H (0.52) GPR84L3MBTL1MEN1KMT2A
SCHEMBL5593078 0.76 SLC6A2 (0.42) GPR84TDO2ALDH1A1SLC6A2SLC6A3
SCHEMBL702582 0.75 PARP10 (0.58) PARP10L3MBTL1CXCL8ALDH1A1ESR1
SCHEMBL31148976 0.73 GPR84 (0.41) GPR84
SCHEMBL22289312 0.73 GPR84 (0.41) GPR84
SCHEMBL31674528 0.73 TDO2 (0.40) GPR84TDO2L3MBTL1ALDH1A1ESR1

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
US-4179563-A COGNITION ACTIVATORS WARNER-LAMBERT COMPANY (US) 1979-12-18 US disclosed