SCHEMBL1384100

SCHEMBL1384100

CN(CC(O)c1cccc(O)c1)C(=O)c1cnc(NCc2cccs2)nc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.39
CYP1A2 P05177 6/20 0.37
CYP3A4 P08684 5/20 0.37
CYP2D6 P10635 4/20 0.37
CYP2C19 P33261 4/20 0.37
HSD17B10 Q99714 4/20 0.37
HPGD P15428 3/20 0.37
USP2 O75604 3/20 0.37
TSHR P16473 2/20 0.37
HIF1A Q16665 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
CLK4 Q9HAZ1 3/20 0.37
MAPK1 P28482 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL1386304 0.88 SLC16A3 (0.41) MEN1KMT2ACLK4HDAC3HDAC1
SCHEMBL3945243 0.87 FYN (0.39) FYNCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1386196 0.80 PDK1 (0.43) CYP1A2CYP2C19HSD17B10HPGDTSHR
SCHEMBL3442903 0.75 KDM4C (0.53) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL3952000 0.75 SLC16A3 (0.40) MEN1KMT2ACLK4HDAC3HDAC1
SCHEMBL1383227 0.73 ALDH1A1 (0.42) CYP1A2CYP3A4HSD17B10HPGDUSP2
SCHEMBL3942976 0.72 CASR (0.41) CYP3A4CYP2D6MAPTMEN1KMT2A
SCHEMBL3443587 0.71 ALDH1A1 (0.58) CYP1A2CYP3A4CYP2C19HSD17B10HPGD
SCHEMBL3946248 0.70 NPY5R (0.42) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL1383618 0.69 ALOX5 (0.47) CYP1A2CYP3A4HSD17B10HPGDUSP2

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
JP-4825686-B2 2011-11-30 JP claimed