SCHEMBL27720804

SCHEMBL27720804

O=C(C1NCc2c(-c3cccs3)ccc(I)c21)C1NCc2c(-c3cccs3)ccc(I)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTK P29376 1/20 0.41
CDK5 Q00535 1/20 0.41
MST1R Q04912 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR1A P08908 2/20 0.31
HTR7 P34969 2/20 0.31
PBRM1 Q86U86 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31

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
SCHEMBL28772251 0.86 LTK (0.42) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL3048189 0.68 CDK5 (0.62) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL27720812 0.60 CFTR (0.36) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL27700209 0.59 HSD17B10 (0.34) HSD17B10
SCHEMBL6228215 0.58 LTA4H (0.47) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL27790049 0.58 MAPT (0.47) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL1308794 0.57 GPR35 (0.46) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL18133656 0.57 ERN1 (0.50) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL29945128 0.55 LTA4H (0.47) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL9927346 0.55 LTA4H (0.47) LTKCDK5MST1RDYRK1ACLK4

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-101163675-A Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO KK (JP) 2008-04-16 CN disclosed