SCHEMBL7147874

SCHEMBL7147874

COc1cccc(C(=O)NCc2ccc([S+]([O-])N3CCC(NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)s2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.44
EPHX2 P34913 1/20 0.44
SCD O00767 1/20 0.41
KCNH2 Q12809 2/20 0.40
MMP13 P45452 1/20 0.39
CHRM1 P11229 1/20 0.39
TACR1 P25103 1/20 0.39
CCR3 P51677 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7143055 0.87 DRD4 (0.47) MMP13CHRM1
SCHEMBL7146835 0.86 SMN1; SMN2 (0.48) MMP13KDM4EALDH1A1
SCHEMBL7147080 0.85 EPHX2 (0.43) CCR2EPHX2SCDMMP13
SCHEMBL7148150 0.85 CHRM1 (0.46) MMP13CHRM1ALDH1A1
SCHEMBL7146066 0.84 MCHR1 (0.45) KCNH2MMP13KDM4EALDH1A1
SCHEMBL7140914 0.84 EPHX2 (0.42) CCR2EPHX2SCDKCNH2MMP13
SCHEMBL7145387 0.84 LMNA (0.45) EPHX2MMP13CHRM1ALDH1A1
SCHEMBL7146510 0.84 SENP5 (0.42) MMP13CCR3ALDH1A1
SCHEMBL3479998 0.84 KMT2A (0.50) CCR2EPHX2SCDKCNH2ALDH1A1
SCHEMBL7146457 0.83 CHRM1 (0.43) MMP13CHRM1CCR3ALDH1A1

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 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