SCHEMBL4728094

SCHEMBL4728094

CNc1ncccc1C=C(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
KDM4E B2RXH2 4/20 0.36
NPC1 O15118 3/20 0.36
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
HTT P42858 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
FDPS P14324 2/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
GRM5 P41594 1/20 0.31
RRM2 P31350 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
ALDH1A1 P00352 3/20 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
SCHEMBL4728047 0.82 RAB9A (0.36) RAB9AKDM4ENPC1MAPTL3MBTL1
SCHEMBL14291445 0.79 KDM4E (0.34) RAB9AKDM4ENPC1MAPTL3MBTL1
SCHEMBL21284326 0.77 KDM4E (0.36) RAB9AKDM4ENPC1MAPTL3MBTL1
SCHEMBL31023942 0.76 TRIM24 (0.52) RAB9AKDM4ENPC1L3MBTL1HTT
SCHEMBL12521568 0.76 KDM4E (0.39) RAB9AKDM4ENPC1MAPTL3MBTL1
SCHEMBL1376029 0.76 TRIM24 (0.52) RAB9AKDM4ENPC1L3MBTL1HTT
SCHEMBL4780744 0.74 EGFR (0.47) RAB9AKDM4ENPC1L3MBTL1HTT
SCHEMBL4725886 0.72 AMY1A (0.45) RAB9AKDM4ENPC1MAPTHTT
SCHEMBL24137512 0.71 ALDH1A1 (0.33) RAB9AKDM4ENPC1MAPTL3MBTL1
SCHEMBL12754878 0.70 CDK4 (0.42) RAB9AKDM4ENPC1MAPTL3MBTL1

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
WO-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO disclosed
WO-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO disclosed