SCHEMBL530078

SCHEMBL530078

CN(C)CCCNc1c(C(=O)O)cnc2ccc(-c3cccs3)cc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.42
HDAC2 Q92769 2/20 0.41
RAD52 P43351 3/20 0.41
POLB P06746 2/20 0.41
UHRF1 Q96T88 1/20 0.41
GRIN2B Q13224 1/20 0.40
NPC1 O15118 1/20 0.40
SLC2A1 P11166 1/20 0.40
APOBEC3A P31941 1/20 0.40
RAB9A P51151 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MELK Q14680 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK1 P28482 1/20 0.39
MAPT P10636 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
SCHEMBL15191174 0.88 KMT2A (0.61) KMT2AKDM4EMEN1GAARAD52
SCHEMBL530888 0.84 KCNH2 (0.54) KMT2AKDM4EMEN1GAAATM
SCHEMBL531008 0.83 KMT2A (0.46) KMT2AKDM4EMEN1GAAATM
SCHEMBL529115 0.83 MELK (0.51) KMT2AKDM4EMEN1GAAATM
SCHEMBL10282210 0.81 MAPT (0.50) KMT2AKDM4EMEN1GAAATM
SCHEMBL528977 0.81 MELK (0.47) KMT2AKDM4EMEN1GAAATM
SCHEMBL529253 0.81 MAPK1 (0.58) KMT2AKDM4EMEN1GAAATM
Hydrochloric Acid SCHEMBL529682 0.80 MAPT (0.49) KMT2AKDM4EMEN1GAAATM
SCHEMBL530085 0.80 KMT2A (0.50) KMT2AKDM4EMEN1GAARAD52
SCHEMBL528829 0.79 MELK (0.40) KMT2AATMRAD52POLBNPC1

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