SCHEMBL9901441

SCHEMBL9901441

CC1(C)CC(NC(=NC#N)Nc2ccccc2)CC(C)(C)N1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.43
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.36
RECQL P46063 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSC P53634 1/20 0.35
ABCC9 O60706 1/20 0.34
KCNJ11 Q14654 1/20 0.34
THRB P10828 1/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
MAPK8 P45983 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL16994523 1.00 P2RX7 (0.43) P2RX7KMT2AKDM4EGAAMEN1
SCHEMBL9902380 0.92 P2RX7 (0.37) P2RX7KMT2AKDM4EGAAMEN1
SCHEMBL16994497 0.92 P2RX7 (0.37) P2RX7KMT2AKDM4EGAAMEN1
SCHEMBL9902381 0.92 P2RX7 (0.37) P2RX7KMT2AKDM4EGAAMEN1
SCHEMBL16994518 0.88 KDM4E (0.51) P2RX7KMT2AKDM4EGAAABCC9
SCHEMBL9902154 0.88 KDM4E (0.38) P2RX7KMT2AKDM4EGAAMEN1
SCHEMBL9902190 0.88 P2RX7 (0.41) P2RX7KMT2AKDM4EGAARECQL
SCHEMBL9902217 0.88 KDM4E (0.38) P2RX7KMT2AKDM4EGAATHRB
SCHEMBL9902214 0.88 KDM4E (0.38) P2RX7KMT2AKDM4EGAATHRB
SCHEMBL16994515 0.88 P2RX7 (0.41) P2RX7KMT2AKDM4EGAARECQL

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-2649048-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF Radikal Therapeutics Inc. (US) 2013-10-16 EP disclosed
WO-2012077108-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF RADIKAL THERAPEUTICS INC. (US) 2012-06-14 WO disclosed