SCHEMBL303368

SCHEMBL303368

Cc1ccc(Nc2ncnc3c2CCN(C2CCSCC2)C3)cc1-c1cc2ccccc2cn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.35
PIK3CD O00329 1/20 0.33
ABL1 P00519 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
AR P10275 3/20 0.32
MKNK1 Q9BUB5 2/20 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
SCHEMBL2027313 0.89 ABL1 (0.36) TRPV1PIK3CDABL1NPC1MAPT
SCHEMBL1921392 0.87 TRPV1 (0.35) TRPV1PIK3CDABL1NPC1MAPT
SCHEMBL302384 0.81 JAK2 (0.39) TRPV1PIK3CDNPC1MAPTMAPK1
SCHEMBL1921421 0.79 MKNK1 (0.48) TRPV1MAPTMKNK1
SCHEMBL1921947 0.78 AVPR2 (0.32) TRPV1ABL1
SCHEMBL302350 0.77 AR (0.36) TRPV1PIK3CDNPC1MAPTMAPK1
SCHEMBL12582564 0.76 IRAK4 (0.37) TRPV1PIK3CDABL1MAPTAR
SCHEMBL1923784 0.76 FAAH (0.41) ABL1
SCHEMBL1921986 0.76 MAPK1 (0.36) TRPV1ABL1NPC1MAPTMAPK1
SCHEMBL12582587 0.74 TRPV1 (0.35) TRPV1PIK3CDMAPTARMKNK1

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