SCHEMBL7515004

SCHEMBL7515004

CC(C)OC(=O)CNC1(S(=O)(=O)C=Cc2ccc(Cl)s2)CCN(CCNc2ccncc2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
F2 P00734 1/20 0.32
KLKB1 P03952 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL7378358 0.85 F10 (0.34) F10CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7544782 0.75 F10 (0.36) F10CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7377600 0.75 F10 (0.36) F10CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1652937 0.70 F10 (0.58) F10CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1652938 0.70 F10 (0.58) F10CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7379160 0.69 F10 (0.38) F10CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7518291 0.69 F10 (0.38) F10CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7537562 0.67 F10 (0.56) F10F2KLKB1
SCHEMBL7537104 0.65 F10 (0.36) F10CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1651500 0.65 F10 (0.40) F10CYP3A4CYP2D6CYP2C9CYP2C19

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-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP disclosed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP disclosed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 WO disclosed