SCHEMBL3655191

SCHEMBL3655191

CC(=O)Cl.Nc1nc2ccc(S(=O)(=O)C3CCNCC3)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 3/20 0.46
VDR P11473 1/20 0.46
GFER P55789 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 1/20 0.42
HTT P42858 2/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GHSR Q92847 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL1783952 0.92 ALDH1A1 (0.59) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL11589505 0.80 ALDH1A1 (0.62) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL1787080 0.78 ALDH1A1 (0.57) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL1788004 0.78 LMNA (0.53) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL1786188 0.74 PIK3CA (0.52) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL1789550 0.74 LMNA (0.51) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL1787659 0.74 LMNA (0.51) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL1786763 0.74 LMNA (0.51) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL5433438 0.72 ALDH1A1 (0.41) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL5433443 0.72 ALDH1A1 (0.41) ALDH1A1LMNAHPGDHSD17B10KDM4E

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-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 EP disclosed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 WO disclosed