SCHEMBL3918546

SCHEMBL3918546

O=S(=O)(NCc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.68
LMNA P02545 1/20 0.51
SLC12A2 P55011 1/20 0.51
SLC12A5 Q9H2X9 1/20 0.51
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 1/20 0.48
CHEK2 O96017 1/20 0.47
CNR1 P21554 1/20 0.47
GLA P06280 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
VCAM1 P19320 1/20 0.46

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
SCHEMBL28004243 0.85 CYP19A1 (0.68) CYP19A1LMNAMAPTALDH1A1KMT2A
SCHEMBL28113721 0.85 CA12 (0.63) CYP19A1LMNASLC12A2SLC12A5ALDH1A1
SCHEMBL3566649 0.82 CYP19A1 (0.52) CYP19A1LMNASLC12A2SLC12A5ALDH1A1
SCHEMBL3924460 0.81 CYP19A1 (0.67) CYP19A1LMNASLC12A2SLC12A5MAPT
SCHEMBL13973371 0.81 CYP19A1 (0.51) CYP19A1LMNASLC12A2SLC12A5MAPT
SCHEMBL13959225 0.80 LMNA (0.53) CYP19A1LMNASLC12A2SLC12A5ALDH1A1
SCHEMBL19334506 0.79 ALDH1A1 (0.61) LMNAALDH1A1KMT2A
SCHEMBL5960052 0.76 CA12 (0.71) CYP19A1LMNAALDH1A1KMT2A
SCHEMBL20946457 0.76 CYP19A1 (0.69) CYP19A1MAPTALDH1A1KMT2A
SCHEMBL3925035 0.76 CA12 (0.71) CYP19A1LMNAALDH1A1KMT2A

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