SCHEMBL304002

SCHEMBL304002

Cc1ccc(Nc2cccc3c2CCN([S+](C)[O-])C3)cc1Oc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 6/20 0.37
S1PR2 O95136 1/20 0.35
BRD4 O60885 4/20 0.33
GAA P10253 2/20 0.32
BRD9 Q9H8M2 1/20 0.32
BRD2 P25440 1/20 0.32
SMARCA2 P51531 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
CREBBP Q92793 1/20 0.32
BRWD1 Q9NSI6 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL305389 0.82 CARM1 (0.37) CARM1BRD4BRD9KDM4EALDH1A1
SCHEMBL304003 0.81 PTGDR2 (0.39) CARM1S1PR2BRD4BRD9BRD2
SCHEMBL305998 0.79 ACP1 (0.35) CARM1KDM4EALDH1A1POLBLMNA
SCHEMBL302466 0.76 AR (0.34) CARM1BRD4BRD9KDM4EPOLB
SCHEMBL1922064 0.70 METAP2 (0.32) BRD4BRD9
SCHEMBL304148 0.69 JAK2 (0.33)
SCHEMBL1922562 0.69 NPY5R (0.38)
SCHEMBL302220 0.68 NPY5R (0.35)
SCHEMBL303355 0.68 JAK2 (0.37) BRD4BRD9MAPT
SCHEMBL302886 0.67 CTSV (0.41) CARM1MAPT

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