SCHEMBL17154457

SCHEMBL17154457

NN(CCCl)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 15/20 0.59
POLB P06746 2/20 0.49
RAD52 P43351 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GFER P55789 1/20 0.49
SLC2A1 P11166 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL17154456 0.86 KDM1A (0.70) KDM1APOLBRAD52KMT2AKDM4E
SCHEMBL4933340 0.80 KDM1A (0.57) KDM1APOLBRAD52KMT2AKDM4E
SCHEMBL17154429 0.76 KDM1A (0.64) KDM1APOLBRAD52KMT2AKDM4E
SCHEMBL17154413 0.75 KDM1A (0.71) KDM1APOLBRAD52KMT2AKDM4E
SCHEMBL3347553 0.75 KDM1A (1.00) KDM1A
SCHEMBL4941215 0.74 KMT2A (0.61) KDM1APOLBRAD52KMT2AKDM4E
SCHEMBL902770 0.74 KDM1A (1.00) KDM1APOLBRAD52KMT2AKDM4E
SCHEMBL17423211 0.73 KDM1A (0.75) KDM1APOLBRAD52KMT2AKDM4E
SCHEMBL15673265 0.73 KDM1A (0.75) KDM1APOLBRAD52KMT2AGFER
SCHEMBL4939506 0.73 KDM1A (0.75) KDM1APOLBRAD52KMT2AKDM4E

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
WO-2015153535-A1 NOVEL HDMX INHIBITORS AND THEIR USE FOR CANCER TREATMENT MiRx Pharmaceuticals, LLC (US) 2015-10-08 WO disclosed