SCHEMBL6609501

SCHEMBL6609501

CCN(CC)CCOc1cc(NC(=O)c2sc(-c3cccnc3)nc2C)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
CYP3A4 P08684 5/20 0.56
CYP1A2 P05177 4/20 0.56
CYP2C19 P33261 4/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 3/20 0.54
MCHR1 Q99705 5/20 0.53
ABL1 P00519 1/20 0.52
BCR P11274 1/20 0.52
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.47
CDK2AP1 O14519 1/20 0.45
CHEK1 O14757 1/20 0.45
MET P08581 2/20 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
SCHEMBL6603893 0.91 MCHR1 (0.61) MEN1KMT2AMAPTMCHR1MET
SCHEMBL7723576 0.90 MAPT (0.53) MEN1KMT2ACYP3A4CYP1A2CYP2C19
SCHEMBL6604936 0.85 MEN1 (0.53) MEN1KMT2AMAPTMCHR1MET
SCHEMBL6602810 0.85 MCHR1 (0.54) MEN1KMT2AMAPTMCHR1MET
SCHEMBL6604870 0.84 MAPT (0.52) MEN1KMT2ACYP3A4CYP1A2CYP2C19
SCHEMBL6603843 0.84 NR1H4 (0.54) MEN1KMT2AMAPTMCHR1
SCHEMBL6603526 0.82 MAPT (0.44) MEN1KMT2ACYP3A4CYP1A2CYP2C19
SCHEMBL6610208 0.81 MCHR1 (0.63) MAPTMCHR1ABL1BCRLMNA
SCHEMBL6602555 0.80 MAPT (0.52) MEN1KMT2ACYP3A4CYP1A2CYP2C19
SCHEMBL6602805 0.80 MCHR1 (0.62) MEN1KMT2AMCHR1METEGFR

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 4 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 disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US 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