SCHEMBL7379161

SCHEMBL7379161

COC(=O)CN(C1CCN(CC(=O)Nc2ccncc2)C1)S(=O)(=O)C=Cc1ccc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.40
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
F2 P00734 1/20 0.33
KLKB1 P03952 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7377601 0.92 F10 (0.38) F10CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7369140 0.90 F10 (0.38) F10CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7518291 0.76 F10 (0.38) F10CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7379160 0.76 F10 (0.38) F10CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7377600 0.69 F10 (0.36) F10CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7544782 0.69 F10 (0.36) F10CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7375961 0.68 F10 (0.49) F10GAA
SCHEMBL7537104 0.68 F10 (0.36) F10CYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL7536971 0.67 F10 (0.34) F10CYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL7537097 0.64 F10 (0.37) 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