SCHEMBL10371017

SCHEMBL10371017

COc1ccc2sc(C(=O)Nc3nnn[nH]3)c(OC(C)(C)C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
ICAM1 P05362 2/20 0.46
SELE P16581 2/20 0.46
VCAM1 P19320 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
BACE1 P56817 1/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
DYRK1A Q13627 1/20 0.35
PPARA Q07869 1/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
CDK1 P06493 1/20 0.34
MAPKAPK2 P49137 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
SCHEMBL9247114 0.91 MPO (0.56) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL10372978 0.87 MPO (0.52) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL6440669 0.86 MPO (0.69) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL6568247 0.85 MPO (0.51) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL8767124 0.85 MPO (0.68) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL6568264 0.83 SENP5 (0.49) MPOCYSLTR1ICAM1SELESCD
SCHEMBL6568274 0.82 MPO (0.51) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL9246108 0.79 MPO (0.48) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL6568731 0.78 MPO (0.59) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL6811772 0.78 EDNRA (0.48) MPOCYSLTR1ICAM1SELEL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187487-B1 BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1990-08-29 EP claimed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 US claimed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 EP claimed