SCHEMBL14228570

SCHEMBL14228570

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3ccc4cc(NCCCN5CCCCC5)ccc4c3=O)nc2)s1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.39
KCNH2 Q12809 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
HTR4 Q13639 1/20 0.36
CSNK2A1 P68400 1/20 0.35

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
SCHEMBL14228569 0.99 HRH3 (0.38) HRH3KCNH2ADRA2AADRA2BHTR4
SCHEMBL9922927 0.95 HRH3 (0.36) HRH3KCNH2ADRA2AADRA2BHTR4
SCHEMBL9922709 0.93 P2RY12 (0.37) HRH3KCNH2ADRA2AADRA2BHTR4
SCHEMBL9922918 0.92 P2RY12 (0.37) HRH3KCNH2ADRA2AADRA2BHTR4
SCHEMBL9922925 0.89 P2RY12 (0.39) HRH3KCNH2ADRA2AADRA2BHTR4
SCHEMBL12161248 0.88 P2RY12 (0.39) HRH3KCNH2ADRA2AADRA2BHTR4
SCHEMBL12177251 0.87 HRH3 (0.38) HRH3KCNH2
SCHEMBL9922917 0.86 KMT2A (0.46)
SCHEMBL12177212 0.86 P2RY12 (0.34)
SCHEMBL14113594 0.85 HRH3 (0.42) HRH3KCNH2ADRA2AADRA2BHTR4

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
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed