SCHEMBL6604936

SCHEMBL6604936

CCN(CC)CCOc1cc(NC(=O)c2sc(-c3cccc(C(F)(F)F)c3)nc2C)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.53
SCD O00767 4/20 0.53
MCHR1 Q99705 6/20 0.52
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
PPARA Q07869 2/20 0.46
MET P08581 2/20 0.46
EGFR P00533 1/20 0.46
KDR P35968 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
SCHEMBL6603157 0.95 MAPT (0.53) MEN1MAPTKMT2ASCDMCHR1
SCHEMBL6603843 0.91 NR1H4 (0.54) MEN1MAPTKMT2ASCDMCHR1
SCHEMBL6603148 0.90 MCHR1 (0.65) MEN1MAPTKMT2ASCDMCHR1
SCHEMBL6603893 0.89 MCHR1 (0.61) MEN1MAPTKMT2AMCHR1ALDH1A1
SCHEMBL6605515 0.86 NR1H4 (0.53) MEN1MAPTKMT2ASCDMCHR1
SCHEMBL6606577 0.85 ALDH1A1 (0.53) MAPTSCDMCHR1ALDH1A1NR1H4
SCHEMBL6609501 0.85 MEN1 (0.56) MEN1MAPTKMT2AMCHR1MET
SCHEMBL7723576 0.85 MAPT (0.53) MEN1MAPTKMT2AMCHR1ALDH1A1
SCHEMBL6602810 0.83 MCHR1 (0.54) MEN1MAPTKMT2AMCHR1ALDH1A1
SCHEMBL6603227 0.82 MAPT (0.58) MEN1MAPTKMT2AALDH1A1SMN1; SMN2

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 7 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
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