SCHEMBL7146894

SCHEMBL7146894

CCCCCCN(CCc1ccccc1)C1CCN([S+]([O-])c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.40
SIGMAR1 Q99720 4/20 0.40
DRD2 P14416 6/20 0.39
DRD3 P35462 6/20 0.39
DRD4 P21917 3/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 1/20 0.38
CXCR3 P49682 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35

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
SCHEMBL6021656 0.97 DRD2 (0.39) TMEM97SIGMAR1DRD2DRD3DRD4
SCHEMBL7139807 0.93 DRD2 (0.38) DRD2DRD3DRD4ALDH1A1MAPK9
SCHEMBL6022189 0.87 CYP3A4 (0.36) TMEM97SIGMAR1DRD2DRD3DRD4
SCHEMBL6021776 0.84 MAPK9 (0.33) TMEM97SIGMAR1DRD2DRD3DRD4
SCHEMBL3480051 0.83 MAPK9 (0.54) TMEM97SIGMAR1DRD2DRD3DRD4
SCHEMBL4192955 0.81 MAPK9 (0.52) TMEM97SIGMAR1DRD2DRD3DRD4
SCHEMBL3479821 0.80 MAPK9 (0.54) TMEM97SIGMAR1DRD2DRD3DRD4
SCHEMBL4967650 0.80 MAPK9 (0.53) TMEM97SIGMAR1DRD2DRD3DRD4
SCHEMBL7139566 0.78 KDM4E (0.42) KMT2AMEN1RAB9AALDH1A1MAPK9
SCHEMBL3479709 0.78 MAPK9 (0.54) TMEM97SIGMAR1DRD2DRD3DRD4

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