SCHEMBL6938271

SCHEMBL6938271

CC(C)Oc1c(C(N)=O)sc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 3/20 0.68
SELE P16581 3/20 0.68
VCAM1 P19320 1/20 0.67
LIMK1 P53667 2/20 0.55
IKBKB O14920 1/20 0.55
ALOX5 P09917 2/20 0.51
EDNRA P25101 1/20 0.48
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL2214437 0.86 EDNRA (0.62) ICAM1SELEVCAM1LIMK1IKBKB
SCHEMBL15697507 0.84 LMNA (0.61) ICAM1SELEVCAM1ALOX5EDNRA
SCHEMBL5453335 0.83 LIMK1 (0.60) ICAM1SELEVCAM1LIMK1IKBKB
SCHEMBL8445133 0.81 ICAM1 (0.76) ICAM1SELEVCAM1LIMK1IKBKB
SCHEMBL8443644 0.81 ICAM1 (1.00) ICAM1SELEVCAM1LIMK1IKBKB
SCHEMBL8443032 0.81 ICAM1 (0.76) ICAM1SELEVCAM1LIMK1IKBKB
SCHEMBL8443374 0.80 ICAM1 (0.62) ICAM1SELEVCAM1EDNRAKMT2A
SCHEMBL6940328 0.80 ICAM1 (1.00) ICAM1SELEVCAM1IKBKBALOX5
SCHEMBL8443028 0.80 ICAM1 (0.81) ICAM1SELEVCAM1IKBKBEDNRA
SCHEMBL8443128 0.80 ICAM1 (0.74) ICAM1SELEVCAM1LIMK1IKBKB

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 16 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-0916666-B1 3-(1-Methylethoxy)benzo[b]thiophene-2-carboxamides as inhibitors of cell adhesion WARNER LAMBERT CO (US) 2003-05-07 EP disclosed
EP-0916666-B1 3-(1-Methylethoxy)benzo[b]thiophene-2-carboxamides as inhibitors of cell adhesion WARNER LAMBERT CO (US) 2003-05-07 EP disclosed
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
EP-0916666-A1 3-alkyloxy-,aryloxy-, or arylalkyloxy-benzo[b]thiophene-2-carboxamides as inhibitors of cell adhesion WARNER-LAMBERT COMPANY (US) 1999-05-19 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