SCHEMBL14767762

SCHEMBL14767762

NC1=NS(=O)(=O)Nc2cccc(OCCCCS)c21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.33
NCF1 P14598 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
KCNA3 P22001 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
SCHEMBL13982602 0.89 SSTR2 (0.36) MCHR1NCF1KCNA3
SCHEMBL2416548 0.88 MCHR1 (0.43) MCHR1HDAC6
SCHEMBL10259613 0.88 SSTR2 (0.38) MCHR1NCF1KCNA3
SCHEMBL13982508 0.88 NCF1 (0.35) MCHR1NCF1KCNA3
SCHEMBL12322607 0.88 F10 (0.34) MCHR1NCF1KCNA3
SCHEMBL12322605 0.87 HTR1B (0.43)
SCHEMBL622041 0.86 NCF1 (0.34) MCHR1NCF1HDAC6KCNA3
SCHEMBL620846 0.86 NCF1 (0.34) MCHR1NCF1HDAC6KCNA3
SCHEMBL2417947 0.86 NCF1 (0.34) MCHR1NCF1HDAC6KCNA3
SCHEMBL12323396 0.86 NCF1 (0.34) MCHR1NCF1HDAC6KCNA3

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
EP-2568287-A2 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-13 EP disclosed