SCHEMBL7147080

SCHEMBL7147080

COc1cccc(C(=O)NCc2ccc([S+]([O-])N3CCC(N(C)Cc4ccc(C(F)(F)F)cc4)CC3)s2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
CCR2 P41597 4/20 0.40
LSS P48449 1/20 0.39
SCD O00767 1/20 0.39
MMP13 P45452 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PREP P48147 1/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL7140914 0.91 EPHX2 (0.42) EPHX2CCR2SCDMMP13PREP
SCHEMBL7147874 0.85 CCR2 (0.44) EPHX2CCR2SCDMMP13
SCHEMBL3479876 0.84 KMT2A (0.51) EPHX2CCR2SMN1; SMN2
SCHEMBL7143055 0.80 DRD4 (0.47) MMP13RAB9ASMN1; SMN2
SCHEMBL7148150 0.79 CHRM1 (0.46) MMP13PREP
SCHEMBL7146457 0.79 CHRM1 (0.43) MMP13PREPRAB9ASMN1; SMN2
SCHEMBL7146510 0.78 SENP5 (0.42) MMP13RAB9ASMN1; SMN2
SCHEMBL7144671 0.78 MEN1 (0.44) EPHX2MMP13
SCHEMBL7141820 0.77 MCHR1 (0.43) RAB9ASMN1; SMN2
SCHEMBL7146066 0.77 MCHR1 (0.45) MMP13RAB9ASMN1; SMN2

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 2 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 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