SCHEMBL4728047

SCHEMBL4728047

CNc1ncccc1C=C(Br)Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.36
NPC1 O15118 5/20 0.36
KDM4E B2RXH2 3/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 2/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FDPS P14324 2/20 0.32
RRM2 P31350 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL14291445 0.86 KDM4E (0.34) RAB9ANPC1KDM4ETRIM24TRIM33
SCHEMBL4728094 0.82 RAB9A (0.36) RAB9ANPC1KDM4ETRIM24TRIM33
SCHEMBL21284326 0.77 KDM4E (0.36) RAB9ANPC1KDM4ETRIM24TRIM33
SCHEMBL1376029 0.76 TRIM24 (0.52) RAB9ANPC1KDM4ETRIM24TRIM33
SCHEMBL31023942 0.76 TRIM24 (0.52) RAB9ANPC1KDM4ETRIM24TRIM33
SCHEMBL12521568 0.76 KDM4E (0.39) RAB9ANPC1KDM4ETRIM24TRIM33
SCHEMBL4725432 0.74 EGFR (0.47) RAB9ANPC1KDM4EL3MBTL1HTT
SCHEMBL28029999 0.72 AMY1A (0.49) RAB9ANPC1KDM4ETRIM24TRIM33
SCHEMBL24137512 0.71 ALDH1A1 (0.33) RAB9ANPC1KDM4ETRIM24TRIM33
SCHEMBL14291612 0.71 KDM4E (0.36) KDM4EMAPTL3MBTL1CYP1A2CYP2C19

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