SCHEMBL7140914

SCHEMBL7140914

CCN(Cc1ccc(C(F)(F)F)cc1)C1CCN([S+]([O-])c2ccc(CNC(=O)c3cccc(OC)c3)s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
CCR2 P41597 4/20 0.39
SCD O00767 1/20 0.38
MMP13 P45452 1/20 0.37
PREP P48147 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CACNA1G O43497 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL7147080 0.91 EPHX2 (0.43) EPHX2CCR2SCDMMP13PREP
SCHEMBL3480714 0.84 KMT2A (0.51) EPHX2CCR2MEN1ALDH1A1GAA
SCHEMBL7147874 0.84 CCR2 (0.44) EPHX2CCR2SCDMMP13ALDH1A1
SCHEMBL7143055 0.79 DRD4 (0.47) MMP13MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7148150 0.78 CHRM1 (0.46) MMP13PREPUSP2ALDH1A1GAA
SCHEMBL7146457 0.77 CHRM1 (0.43) MMP13PREPUSP2ALDH1A1RAB9A
SCHEMBL7144671 0.77 MEN1 (0.44) EPHX2MMP13MEN1USP2ALDH1A1
SCHEMBL7141820 0.76 MCHR1 (0.43) MEN1USP2ALDH1A1KMT2ARAB9A
SCHEMBL7146066 0.76 MCHR1 (0.45) MMP13MEN1ALDH1A1KMT2ARAB9A
SCHEMBL7146835 0.76 SMN1; SMN2 (0.48) MMP13MEN1USP2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322642-A2 sHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES BEARING BOTH LIPOPHILIC AND IONISABLE MOIETIES AS INHIBITORS OF PROTEIN JUNKINASES Applied Research Systems ARS Holding N.V. (AN) 2003-07-02 EP claimed
WO-2002026733-A2 sHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES BEARING BOTH LIPOPHILIC AND IONISABLE MOIETIES AS INHIBITORS OF PROTEIN JUNKINASES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-04-04 WO claimed
EP-1322642-A2 sHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES BEARING BOTH LIPOPHILIC AND IONISABLE MOIETIES AS INHIBITORS OF PROTEIN JUNKINASES Applied Research Systems ARS Holding N.V. (AN) 2003-07-02 EP disclosed
WO-2002026733-A2 sHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES BEARING BOTH LIPOPHILIC AND IONISABLE MOIETIES AS INHIBITORS OF PROTEIN JUNKINASES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-04-04 WO disclosed