SCHEMBL3923966

SCHEMBL3923966

COCC1(I)CCCN1S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 3/20 0.36
ALOX15 P16050 1/20 0.36
MMP2 P08253 3/20 0.36
MMP1 P03956 2/20 0.35
MMP3 P08254 2/20 0.35
MMP7 P09237 2/20 0.35
MMP13 P45452 2/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL16129346 0.76 ALDH1A1 (0.55) ALDH1A1L3MBTL1LMNAHTTTSHR
SCHEMBL18065552 0.72 ALDH1A1 (0.57) ALDH1A1L3MBTL1HTTTSHRMMP2
SCHEMBL16129195 0.70 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNAHTTTSHR
SCHEMBL16635481 0.67 TRPA1 (0.53) ALDH1A1L3MBTL1LMNAHTTMMP1
SCHEMBL16635482 0.67 TRPA1 (0.53) ALDH1A1L3MBTL1LMNAHTTMMP1
SCHEMBL15577918 0.65 PLCG1 (0.46) ALDH1A1L3MBTL1LMNAMMP2MMP1
SCHEMBL3924062 0.65 HCRTR1 (0.47) LMNAHTTMMP2MMP1MMP3
SCHEMBL18065474 0.64 TSHR (0.54) ALDH1A1L3MBTL1HTTTSHRPOLB
SCHEMBL3919293 0.64 TSHR (0.47) ALDH1A1LMNAHTTTSHRPOLB
SCHEMBL27976150 0.63 HCRTR1 (0.50) ALDH1A1LMNAHTTMMP2MMP1

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-2035372-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-03-18 EP disclosed
WO-2008005338-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 WO disclosed