SCHEMBL530085

SCHEMBL530085

CN(C)CCCNc1c(C(=O)O)cnc2ccc(F)cc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
FLT3 P36888 4/20 0.47
CSF1R P07333 2/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 2/20 0.43
RAD52 P43351 2/20 0.43
NPC1 O15118 1/20 0.43
SLC2A1 P11166 1/20 0.43
APOBEC3A P31941 1/20 0.43
RAB9A P51151 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
UHRF1 Q96T88 1/20 0.43

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
SCHEMBL529253 0.88 MAPK1 (0.58) KMT2AKDM4EMEN1GAAMAPK1
SCHEMBL13692670 0.86 KMT2A (0.69) KMT2AKDM4EMEN1GAAMAPK1
SCHEMBL529115 0.84 MELK (0.51) KMT2AKDM4EMEN1GAAMAPK1
SCHEMBL530888 0.83 KCNH2 (0.54) KMT2AKDM4EMEN1GAACSF1R
SCHEMBL531008 0.82 KMT2A (0.46) KMT2AKDM4EMEN1GAAPOLB
SCHEMBL10282210 0.81 MAPT (0.50) KMT2AKDM4EMEN1GAACSF1R
Hydrochloric Acid SCHEMBL529682 0.81 MAPT (0.49) KMT2AKDM4EMEN1GAACSF1R
SCHEMBL530078 0.80 KMT2A (0.44) KMT2AKDM4EMEN1GAAMAPK1
SCHEMBL529687 0.79 CSF1R (0.47) KMT2AKDM4EMEN1GAACSF1R
SCHEMBL529183 0.79 MELK (0.52) KMT2AKDM4EMEN1GAA

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-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed