SCHEMBL8445138

SCHEMBL8445138

COc1ccc2sc(C(N)=O)c(Oc3ccccc3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 4/20 0.67
SELE P16581 4/20 0.67
VCAM1 P19320 1/20 0.67
TSHR P16473 2/20 0.51
PRNP P04156 1/20 0.51
MAPK1 P28482 1/20 0.51
PPARG P37231 1/20 0.51
HTT P42858 1/20 0.51
MAPK10 P53779 1/20 0.51
NCOA2 Q15596 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PLA2G10 O15496 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL5219829 0.89 EDNRA (0.54) ICAM1SELEVCAM1TSHRPRNP
SCHEMBL8442991 0.86 ICAM1 (0.77) ICAM1SELEVCAM1TSHRPRNP
SCHEMBL5210758 0.86 ICAM1 (0.49) ICAM1SELEVCAM1PPARGHTT
SCHEMBL8442498 0.83 ICAM1 (0.61) ICAM1SELEVCAM1TSHRPRNP
SCHEMBL5211808 0.80 EDNRA (0.50) ICAM1SELEVCAM1L3MBTL1KDM4E
SCHEMBL6940328 0.80 ICAM1 (1.00) ICAM1SELEVCAM1TSHRPRNP
SCHEMBL8443500 0.80 ICAM1 (0.68) ICAM1SELEVCAM1TSHRPRNP
SCHEMBL5213212 0.80 EDNRA (0.50) ICAM1SELEVCAM1NPSR1L3MBTL1
SCHEMBL5211504 0.79 EDNRA (0.48) ICAM1SELEVCAM1MAPK1HTT
SCHEMBL9374983 0.78 EDNRA (0.50) TSHRPRNPMAPK1PPARGHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628038-B1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO [b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER LAMBERT CO (US) 1999-08-04 EP claimed
US-5444085-A Administering benzothiophene compounds WARNER-LAMBERT COMPANY (US) 1995-08-22 US claimed
WO-1995005170-A1 METHODS OF INHIBITING HIV AND INHIBITING THE ACTIVATION OF HIV WARNER-LAMBERT COMPANY (US) 1995-02-23 WO claimed
EP-0628038-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1994-12-14 EP claimed
WO-1993017008-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO[b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1993-09-02 WO claimed
US-5208253-A Antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-05-04 US claimed
EP-0628038-B1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO [b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER LAMBERT CO (US) 1999-08-04 EP disclosed
US-5444085-A Administering benzothiophene compounds WARNER-LAMBERT COMPANY (US) 1995-08-22 US disclosed
WO-1995005170-A1 METHODS OF INHIBITING HIV AND INHIBITING THE ACTIVATION OF HIV WARNER-LAMBERT COMPANY (US) 1995-02-23 WO disclosed
EP-0628038-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1994-12-14 EP disclosed
US-5356926-A Antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1994-10-18 US disclosed
WO-1993017008-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO[b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1993-09-02 WO disclosed
US-5208253-A Antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-05-04 US disclosed