SCHEMBL430268

SCHEMBL430268

CC(C)(C)OC(=O)N1c2ccccc2CN1C(=O)F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
MAPK1 P28482 1/20 0.44
NAMPT P43490 4/20 0.41
KDM1A O60341 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LIPG Q9Y5X9 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
ESR2 Q92731 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NR1H2 P55055 1/20 0.36

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
SCHEMBL1557882 0.79 HSD17B3 (0.37) MEN1KMT2A
SCHEMBL6204851 0.78 MAPK1 (0.52) BCHEMAPK1NAMPTMEN1KMT2A
SCHEMBL6204853 0.73 MAPK1 (0.48) BCHEMAPK1NAMPTMEN1KMT2A
SCHEMBL5183098 0.72 MAPK1 (0.64) MAPK1NAMPTGPR119ESR2HDAC1
SCHEMBL29676965 0.72 MAPK1 (0.64) MAPK1NAMPTGPR119ESR2HDAC1
SCHEMBL29479856 0.71 BCHE (0.62) BCHEMAPK1NAMPTKDM1AMEN1
SCHEMBL21505062 0.70 MAPK1 (0.59) BCHEMAPK1NAMPTLIPGGPR119
SCHEMBL13502703 0.70 KDM4E (0.47) BCHEMAPK1NAMPTKDM1AMEN1
SCHEMBL3429052 0.69 MAPK1 (0.51) BCHEMAPK1NAMPTKDM1AGPR119
SCHEMBL30900483 0.69 NOTUM (0.61) KDM1AMEN1KMT2A

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-2408761-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF Schering Corporation (US) 2012-01-25 EP disclosed
EP-2303893-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF Schering Corporation (US) 2011-04-06 EP disclosed
EP-2197842-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
WO-2009152200-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-12-17 WO disclosed
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed