SCHEMBL18138285

SCHEMBL18138285

COC(=O)c1nn(CC2CC2)cc1N=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
PDE10A Q9Y233 2/20 0.34
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR2 P34972 1/20 0.33
CRHR1 P34998 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAP3K5 Q99683 1/20 0.32
MERTK Q12866 1/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL18138241 0.85 NOTUM (0.35) PDE10ACRHR1NPC1
SCHEMBL12764246 0.82 NPC1 (0.48) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL18138310 0.80 KDM4E (0.40) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL18131175 0.77 ALDH1A1 (0.48) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL29301330 0.75 KDM4E (0.32) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL18138239 0.74 DRD2 (0.39) ALDH1A1KMT2A
SCHEMBL18138240 0.73 FGFR1 (0.31) PDE10AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL25330627 0.73 MAP3K5 (0.38) LMNAPDE10AKDM4EALDH1A1KMT2A
SCHEMBL25334059 0.72 EPHX2 (0.44) LMNAPDE10AKDM4EALDH1A1KMT2A
SCHEMBL18558956 0.71 PDE10A (0.43) LMNAPDE10AKDM4EALDH1A1KMT2A

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-2016164754-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-10-13 WO disclosed