SCHEMBL6603526

SCHEMBL6603526

CCCN(CCC)CCOc1cc(NC(=O)c2sc(-c3cnccn3)nc2C)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MCHR1 Q99705 1/20 0.41
USP2 O75604 1/20 0.41
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MET P08581 2/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
EGFR P00533 1/20 0.38

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
SCHEMBL6603515 0.89 MCHR1 (0.49) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL6604870 0.88 MAPT (0.52) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL6602810 0.85 MCHR1 (0.54) MAPTALDH1A1HPGDPOLBMEN1
SCHEMBL6602555 0.84 MAPT (0.52) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL6609501 0.82 MEN1 (0.56) MAPTMEN1KMT2AMCHR1USP2
SCHEMBL7723576 0.82 MAPT (0.53) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL6605515 0.82 NR1H4 (0.53) MAPTALDH1A1MEN1KMT2AMCHR1
SCHEMBL6603157 0.80 MAPT (0.53) MAPTALDH1A1MEN1KMT2AMCHR1
SCHEMBL6603893 0.79 MCHR1 (0.61) MAPTALDH1A1HPGDPOLBMEN1
SCHEMBL6606159 0.78 ALDH1A1 (0.56) MAPTKDM4EALDH1A1MCHR1ABL1

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