SCHEMBL8045946

SCHEMBL8045946

C=C(Nc1nn(CCOC(C)=O)c2nc(-c3cnn4c(C)cccc34)c(F)cc12)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.34
ATM Q13315 5/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BUB1 O43683 1/20 0.32
PABPC1 P11940 1/20 0.32
PAX8 Q06710 1/20 0.32
KDM4E B2RXH2 4/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 2/20 0.31
POLB P06746 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.30
ALDH1A1 P00352 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL3265027 0.93 LMNA (0.41) NPSR1LMNAATMMEN1KMT2A
SCHEMBL7955204 0.89 ATM (0.39) NPSR1ATMMEN1KMT2AKDM4E
SCHEMBL3262282 0.82 KDR (0.34) BUB1ALDH1A1
SCHEMBL7948913 0.81 LMNA (0.41) NPSR1LMNAATMKDM4EL3MBTL1
SCHEMBL8049800 0.76 KDM4E (0.42) NPSR1LMNAATMMEN1KMT2A
SCHEMBL8049619 0.75 KDM4E (0.39) LMNAATMMEN1KMT2AKDM4E
SCHEMBL13099802 0.75 ALDH1A1 (0.39) NPSR1LMNAATMMEN1KMT2A
SCHEMBL13099805 0.74 LMNA (0.42) LMNAMEN1KMT2AKDM4EL3MBTL1
SCHEMBL13099801 0.74 APOBEC3A (0.44) ATMMEN1KMT2AKDM4EL3MBTL1
SCHEMBL3107285 0.72 KDM4E (0.39) NPSR1LMNAATMBUB1KDM4E

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-2009038385-A2 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2009-03-26 WO disclosed