SCHEMBL4173333

SCHEMBL4173333

O=C(NCCCCC1CCNCC1)c1ccc(S(=O)(=O)N(Oc2ccc(F)cc2Cl)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
ITGB3 P05106 7/20 0.38
ITGA2B P08514 7/20 0.38
ROCK2 O75116 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADAMTS4 O75173 1/20 0.37
MMP1 P03956 1/20 0.37
ADAM17 P78536 1/20 0.37
ADAMTS1 Q9UHI8 1/20 0.37
ADAMTS7 Q9UKP4 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM4 P08173 1/20 0.37
CCR3 P51677 1/20 0.37
BRD4 O60885 1/20 0.37

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
Hydrochloric Acid SCHEMBL3144654 0.99 NAMPT (0.39) NAMPTITGB3ITGA2BROCK2MEN1
SCHEMBL15016176 0.92 CHRM1 (0.41) NAMPTITGB3ITGA2BROCK2MEN1
Hydrochloric Acid SCHEMBL3144690 0.92 CHRM1 (0.41) NAMPTITGB3ITGA2BROCK2MEN1
SCHEMBL15016228 0.91 NAMPT (0.40) NAMPTITGB3ITGA2BROCK2MEN1
Hydrochloric Acid SCHEMBL3144075 0.90 NAMPT (0.39) NAMPTITGB3ITGA2BROCK2MEN1
SCHEMBL15016286 0.90 CXCR3 (0.41) ITGB3ITGA2BROCK2MEN1KMT2A
Hydrochloric Acid SCHEMBL3157630 0.89 CXCR3 (0.41) ITGB3ITGA2BROCK2MEN1KMT2A
Hydrochloric Acid SCHEMBL3153797 0.89 LMNA (0.42) ITGB3ITGA2BROCK2MEN1KMT2A
SCHEMBL15016272 0.89 BRD4 (0.39) NAMPTITGB3ITGA2BROCK2MEN1
Hydrochloric Acid SCHEMBL3143538 0.88 MEN1 (0.39) NAMPTITGB3ITGA2BROCK2MEN1

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-2074083-B1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-06-19 EP claimed
EP-2074083-A1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Richter Gedeon NYRT (HU) 2009-07-01 EP claimed
WO-2008050168-A1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2008-05-02 WO claimed