SCHEMBL6602555

SCHEMBL6602555

CCCN(CCC)CCOc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
GAA P10253 1/20 0.48
XDH P47989 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MCHR1 Q99705 1/20 0.46
MET P08581 2/20 0.45
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
EGFR P00533 1/20 0.44

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
SCHEMBL6602810 0.92 MCHR1 (0.54) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL6604870 0.91 MAPT (0.52) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL6605515 0.90 NR1H4 (0.53) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL6602551 0.88 MCHR1 (0.54) MAPTGAAXDHSMN1; SMN2MEN1
SCHEMBL6603893 0.85 MCHR1 (0.61) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL6602522 0.85 MCHR1 (0.48) MAPTSMN1; SMN2MEN1KMT2AMCHR1
SCHEMBL7723576 0.85 MAPT (0.53) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL6602409 0.85 MAPT (0.51) MAPTGAAXDHSMN1; SMN2MEN1
SCHEMBL6603157 0.84 MAPT (0.53) MAPTSMN1; SMN2MEN1KMT2AMCHR1
SCHEMBL6603526 0.84 MAPT (0.44) MAPTMEN1KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP claimed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP claimed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed