SCHEMBL13638587

SCHEMBL13638587

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(NCCCN5CCCCC5)ccc4c3=O)c(F)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.41
KCNH2 Q12809 4/20 0.41
TERT O14746 7/20 0.38
POT1 Q9NUX5 1/20 0.38
MET P08581 3/20 0.37
P2RY12 Q9H244 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL12177370 0.99 HRH3 (0.41) HRH3KCNH2TERTPOT1MET
SCHEMBL13638561 0.95 KCNH2 (0.41) HRH3KCNH2TERTPOT1P2RY12
SCHEMBL9922735 0.94 P2RY12 (0.44) HRH3KCNH2TERTPOT1MET
SCHEMBL9922737 0.93 P2RY12 (0.44) HRH3KCNH2TERTPOT1MET
SCHEMBL12177323 0.93 TSHR (0.40) METMEN1KMT2A
SCHEMBL9923201 0.90 P2RY12 (0.46) HRH3KCNH2TERTPOT1P2RY12
SCHEMBL9923208 0.89 P2RY12 (0.47) HRH3KCNH2TERTPOT1P2RY12
SCHEMBL13638586 0.88 P2RY12 (0.40) P2RY12MEN1KMT2A
SCHEMBL14113603 0.88 MET (0.39) HRH3KCNH2TERTPOT1MET
SCHEMBL14113594 0.88 HRH3 (0.42) HRH3KCNH2TERTPOT1

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-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed