SCHEMBL5673341

SCHEMBL5673341

Cc1cc(OCCC=O)cc(OS(=O)(=O)c2cccc3nsnc23)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 12/20 0.50
▸ ALDH1A1 P00352 2/20 0.44
▸ GLA P06280 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CTRC Q99895 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL8476269 0.87 F2 (0.51) F2CTRCTP53MAPT
SCHEMBL8476636 0.81 GLA (0.43) ALDH1A1GLAUSP2TSHRHSD17B10
SCHEMBL5676152 0.80 ALDH1A1 (0.48) ALDH1A1GLAUSP2TSHRHSD17B10
SCHEMBL5675805 0.79 F2 (0.68) F2CTRC
SCHEMBL8476274 0.78 ALDH1A1 (0.44) ALDH1A1GLATSHRSMN1; SMN2TP53
SCHEMBL5674385 0.78 F2 (0.70) F2CTRC
SCHEMBL5672977 0.78 F2 (0.70) F2CTRC
SCHEMBL5673452 0.77 F2 (0.69) F2CTRC
SCHEMBL5672782 0.76 F2 (0.70) F2CTRC
SCHEMBL5673005 0.75 F2 (0.68) F2GLACTRC

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
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