SCHEMBL18307178

SCHEMBL18307178

CNC(=O)Cc1ccc(I)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.45
HDAC4 P56524 1/20 0.44
PCNA P12004 1/20 0.44
HTT P42858 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
HDAC6 Q9UBN7 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
PDE4A P27815 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL4475117 0.81 PLK1 (0.59) LMNAPOLBHDAC4HTTTDP1
SCHEMBL171860 0.81 HPGD (0.59) LMNAPOLBMEN1KMT2AHPGD
SCHEMBL19851593 0.81 HDAC8 (0.63) HDAC4SIGMAR1HDAC6MEN1KMT2A
SCHEMBL1972574 0.81 LMNA (0.68) LMNAPOLBHDAC4HTTSIGMAR1
SCHEMBL333393 0.81 LMNA (0.49) LMNAPOLBHDAC4HTTTDP1
SCHEMBL10569182 0.81 CA2 (0.56) LMNAPOLBHDAC4HTTTDP1
SCHEMBL8135278 0.79 KLKB1 (0.52) LMNAPOLBHDAC4HTTTDP1
SCHEMBL3324450 0.79 KMT2A (0.59) LMNAHTTMEN1KMT2AKDM4E
SCHEMBL1632446 0.79 LMNA (0.51) LMNAPOLBHDAC4HTTSIGMAR1
SCHEMBL14394201 0.79 GLS (0.50) LMNAPOLBHDAC4HTTTDP1

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
EP-2265607-B1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed