SCHEMBL6541406

SCHEMBL6541406

CN(C)CCOc1cc(N)ccc1Cl.COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(OCCN(C)C)c2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.56
HTT P42858 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
PKM P14618 3/20 0.53
TSHR P16473 3/20 0.53
GAA P10253 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 4/20 0.50
UTS2R Q9UKP6 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
FABP4 P15090 1/20 0.48
XBP1 P17861 2/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL6542791 0.94 LMNA (0.63) LMNAHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6542118 0.85 UTS2R (0.57) LMNAHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6541691 0.84 LMNA (0.60) LMNAHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6541397 0.83 LMNA (0.64) LMNAHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6542002 0.82 LMNA (0.63) LMNAHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6542745 0.82 LMNA (0.63) LMNAHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6542664 0.81 LMNA (0.64) LMNAHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6541903 0.81 LMNA (0.51) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL6542576 0.81 UTS2R (0.60) LMNAHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6176052 0.80 CACNA1B (0.53) LMNAHTTSMN1; SMN2ALDH1A1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1248607-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-06 EP disclosed
EP-1248607-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-10-16 EP disclosed
WO-2001045694-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-28 WO disclosed