SCHEMBL3249593

SCHEMBL3249593

Brc1ccc(Oc2c[c]ccc2)c(CSc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR2A P28223 2/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
QRFPR Q96P65 1/20 0.34
HTR6 P50406 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 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
SCHEMBL3484951 0.79 PTGDR2 (0.44) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL3266556 0.76 KMT2A (0.35) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL2282152 0.74 PTGDR2 (0.45) MEN1LMNAKMT2AMAPTHTT
SCHEMBL2753212 0.74 MAPK1 (0.55) SLC6A4HRH3HTR2AKCNH2MEN1
SCHEMBL2753829 0.71 MAPK1 (0.37) SLC6A4HTR2AKCNH2MEN1LMNA
SCHEMBL3485703 0.69 PTGDR2 (0.43) SLC6A4LMNAKMT2AHTR6MAPK1
SCHEMBL9686778 0.66 LMNA (0.35) LMNAKMT2AHTTMAPK1L3MBTL1
SCHEMBL5214192 0.66 MAOB (0.41) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL1568289 0.66 QRFPR (0.47) MEN1LMNAKMT2AQRFPRMAPT
SCHEMBL4909322 0.66 MAPT (0.47) SLC6A4SLC6A2SLC6A3MEN1KMT2A

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
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed