SCHEMBL3736028

SCHEMBL3736028

NC(=O)c1ccc(C2CCC(O)CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GLA P06280 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HIF1A Q16665 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ESR2 Q92731 2/20 0.44
DGAT1 O75907 8/20 0.42
SOAT1 P35610 1/20 0.42
KIT P10721 2/20 0.41
FLT3 P36888 2/20 0.41
GSK3B P49841 1/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP2C9 P11712 1/20 0.37
MAPK8 P45983 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
SCHEMBL18296234 0.93 KMT2A (0.60) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL22048083 0.83 KMT2A (0.53) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL27995000 0.80 MAPK1 (0.51) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL1585290 0.78 KDM4E (0.83) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL24316507 0.76 KDM4E (0.60) KMT2AKDM4EGLAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL18036255 0.75 KDM4E (0.50) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL13177598 0.73 KDM4E (0.57) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL27174552 0.73 KDM4E (0.57) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL20255477 0.73 ESR2 (0.50) KMT2AKDM4EGLAHTTSMN1; SMN2
SCHEMBL14152280 0.72 MAPK1 (0.57) KMT2AKDM4EGLAHTTSMN1; SMN2

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-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed