SCHEMBL9733

SCHEMBL9733

CCNC(=O)Oc1cc2ccc(F)c(C)c2nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
FAAH O00519 2/20 0.35
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 1/20 0.33

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
SCHEMBL11850 0.79 MEN1 (0.42) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL6680 0.79 POLB (0.42) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL11318 0.75 TP53 (0.41) MAPTKDM4ENPC1RAB9A
SCHEMBL10202753 0.71 MAPT (0.46) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL7307 0.71 ALDH1A1 (0.40) MAPTLMNAKDM4EL3MBTL1CNR2
SCHEMBL30014701 0.69 KDM4E (0.50) MEN1MAPTKMT2AKDM4EPOLB
SCHEMBL7306 0.68 CYP3A4 (0.34) MEN1MAPTKMT2AKDM4EGAA
SCHEMBL1885037 0.68 ALDH1A1 (0.46) MEN1KMT2AKDM4EGAAL3MBTL1
SCHEMBL14531754 0.67 CYP4F2 (0.51) MEN1MAPTKMT2AKDM4EPOLB
SCHEMBL28176179 0.67 KDM4E (0.44) MEN1MAPTKMT2AKDM4EPOLB

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-2011058109-A1 FUSED BICYCLIC PYRROLE AND IMIDAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO disclosed