SCHEMBL5675847

SCHEMBL5675847

COc1ccc(Br)cc1S(=O)(=O)Oc1cc(C)cc(OCCCO)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.54
GLA P06280 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PRSS2 P07478 3/20 0.44
CTRC Q99895 3/20 0.43
TSHR P16473 1/20 0.43
PKM P14618 1/20 0.41

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
SCHEMBL5674410 0.90 F2 (0.59) F2PRSS2CTRC
SCHEMBL5674416 0.89 F2 (0.56) F2PRSS2CTRC
SCHEMBL5672970 0.87 F2 (0.54) F2PRSS2CTRC
SCHEMBL5673538 0.86 F2 (0.53) F2GLASMN1; SMN2CTRCTSHR
SCHEMBL5676136 0.85 F2 (0.72) F2PRSS2CTRC
SCHEMBL5672814 0.82 SMN1; SMN2 (0.49) F2GLASMN1; SMN2TSHRPKM
SCHEMBL5673429 0.82 F2 (0.70) F2PRSS2CTRC
SCHEMBL5673614 0.79 F2 (0.70) F2PRSS2CTRC
SCHEMBL8480689 0.79 SMN1; SMN2 (0.47) F2GLASMN1; SMN2TSHRPKM
SCHEMBL5674472 0.78 F2 (0.55) F2PRSS2CTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906091-B1 AMIDINOHYDRAZONES AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-10-04 EP disclosed
EP-0906091-A4 AMIDINOHYDRAZONES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2004-07-21 EP disclosed
EP-0906091-A1 AMIDINOHYDRAZONES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-04-07 EP disclosed
US-5891909-A Amidinohydrazones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed
WO-1997036580-A1 AMIDINOHYDRAZONES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-10-09 WO disclosed