SCHEMBL4551015

SCHEMBL4551015

NC(=O)Oc1c(I)cccc1OCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
KDM4E B2RXH2 5/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
USP2 O75604 1/20 0.46
CYP2D6 P10635 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 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
SCHEMBL3989280 0.83 POLB (0.63) POLBKDM4EMEN1KMT2ATDP1
SCHEMBL1856888 0.80 DRD1 (0.54) POLBKDM4EMEN1KMT2ADRD1
SCHEMBL15336695 0.78 DRD1 (0.62) POLBKDM4EDRD1DRD4DRD5
SCHEMBL6260918 0.77 CNR1 (0.64) POLBKDM4EKMT2ATDP1CNR1
SCHEMBL1854474 0.77 POLB (0.56) POLBKDM4EMEN1KMT2ATDP1
SCHEMBL8555636 0.76 MEN1 (0.62) POLBKDM4EMEN1KMT2ATDP1
SCHEMBL6763629 0.73 POLB (0.63) POLBKDM4EMEN1KMT2ATDP1
SCHEMBL2011534 0.72 CYP2D6 (0.60) POLBKDM4EMEN1KMT2ATDP1
SCHEMBL6042440 0.71 POLB (0.68) POLBKDM4EMEN1KMT2ATDP1
SCHEMBL4224048 0.71 DRD1 (0.63) POLBKDM4EMEN1KMT2ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 WO disclosed