SCHEMBL305389

SCHEMBL305389

Cc1ccc(Nc2cccc3c2CCN([S+](C)[O-])C3)cc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.37
BRD9 Q9H8M2 2/20 0.32
BRD4 O60885 1/20 0.32
MAPK14 Q16539 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KCNK2 O95069 1/20 0.30
KCNK10 P57789 1/20 0.30
KCNK18 Q7Z418 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KAT2B Q92831 1/20 0.30
ALOX5 P09917 1/20 0.30
PTGS2 P35354 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL305998 0.90 ACP1 (0.35) CARM1MAPK14KDM4EALDH1A1LMNA
SCHEMBL302466 0.82 AR (0.34) CARM1BRD9BRD4MEN1KMT2A
SCHEMBL304002 0.82 CARM1 (0.37) CARM1BRD9BRD4TDP1KDM4E
SCHEMBL305390 0.80 PTGDR2 (0.39) CARM1BRD9BRD4MAPK14ALOX5
SCHEMBL1922562 0.79 NPY5R (0.38)
SCHEMBL303677 0.78 PTGDR2 (0.40) CARM1BRD9BRD4MAPK14MEN1
SCHEMBL302220 0.78 NPY5R (0.35)
SCHEMBL305500 0.77 TNIK (0.34) BRD4
SCHEMBL1922064 0.76 METAP2 (0.32) BRD9BRD4
SCHEMBL304148 0.74 JAK2 (0.33)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500853-A 2012-01-12 JP claimed
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP claimed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 WO claimed