SCHEMBL27792000

SCHEMBL27792000

CN(C)S(=O)(=O)Nc1cccc(C(N)=O)c1F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FABP4 P15090 1/20 0.39
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
PARP14 Q460N5 1/20 0.39
MAP2K1 Q02750 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.36
BRAF P15056 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
SCHEMBL9930242 0.77 BRAF (0.53) HPGDKDM4EALDH1A1HSD17B10BRAF
SCHEMBL3019904 0.77 BRAF (0.51) POLBHPGDFABP4ALOX5APFEN1
SCHEMBL28282536 0.76 KDM4E (0.46) PARP1POLBHTTHPGDKDM4E
SCHEMBL27813047 0.74 TSHR (0.56) HTTKDM4EALDH1A1FABP4
SCHEMBL27791883 0.73 SLC10A2 (0.55) HPGDKDM4EALDH1A1
SCHEMBL22638686 0.73 POLB (0.54) POLBHPGDKDM4EALDH1A1HSD17B10
SCHEMBL16266453 0.72 KDM4E (0.43) POLBKDM4EALDH1A1HSD17B10FABP4
SCHEMBL27792180 0.72 KDM4E (0.55) HTTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL13602442 0.72 HTT (0.49) POLBHTTHPGDKDM4EALDH1A1
SCHEMBL27813043 0.71 PTGES2 (0.55) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101808994-A Be used for Compounds and methods for that kinases regulates with and indication PLEXXIKON INC 2010-08-18 CN disclosed