SCHEMBL526739

SCHEMBL526739

CCCCCCc1ccsc1-c1ccnc(Br)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.34
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
TYR P14679 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AR P10275 1/20 0.33
SREBF2 Q12772 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
RECQL P46063 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GPR35 Q9HC97 5/20 0.32

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
SCHEMBL17053270 0.85 MAPK14 (0.38) PLA2G4AMAPTHTTMEN1TP53
SCHEMBL18674424 0.85 MAPK14 (0.38) PLA2G4AMAPTHTTMEN1TP53
SCHEMBL17053349 0.84 MAPK14 (0.38) PLA2G4AMAPTHTTMEN1TP53
SCHEMBL526244 0.81 SREBF2 (0.42) MAPTTP53CYP3A4SREBF2LIPG
SCHEMBL17053315 0.81 GPR35 (0.40) PLA2G4AMAPTHTTMEN1TP53
SCHEMBL17053348 0.81 NOTUM (0.36) PLA2G4AMAPTHTTMEN1TP53
SCHEMBL14378804 0.77 TYR (0.38) MAPTHTTMEN1TP53CYP3A4
SCHEMBL17053322 0.77 PLA2G4A (0.39) PLA2G4AHTTMEN1TP53ALOX5
SCHEMBL722288 0.76 LIPG (0.44) MAPTHTTMEN1TP53CYP3A4
SCHEMBL9242673 0.76 LIPG (0.44) MAPTHTTMEN1TP53CYP3A4

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-2012013719-A1 NEW CYCLOMETALATED COMPLEXES FOR SOLAR CELLS UNIVERSITA' DEGLI STUDI DI MILANO BICOCCA (IT) 2012-02-02 WO disclosed