SCHEMBL10317399

SCHEMBL10317399

CS(=O)(=O)c1cccc(-n2cnc3c(=O)n(-c4ccccc4Cl)c(-c4ccc(-c5ccc(N)cn5)cc4)nc32)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
XDH P47989 2/20 0.35
NR1H2 P55055 9/20 0.35
NR1H3 Q13133 9/20 0.35
RXRA P19793 5/20 0.35
RIPK2 O43353 3/20 0.34
ACVR1 Q04771 2/20 0.34
NOD2 Q9HC29 2/20 0.34
KCNH2 Q12809 1/20 0.34
TNKS O95271 3/20 0.34
TNKS2 Q9H2K2 3/20 0.34
SULT2A1 Q06520 1/20 0.34
ATR Q13535 1/20 0.33

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
SCHEMBL4168810 0.90 GRM1 (0.41) PTGS2XDHRIPK2
SCHEMBL4164283 0.83 GRM1 (0.47) PTGS2XDH
SCHEMBL4161595 0.80 TDP2 (0.42) PTGS2XDH
SCHEMBL4702957 0.79 PTGS2 (0.39) PTGS2RIPK2ATR
SCHEMBL4165708 0.77 GRM1 (0.42) PTGS2XDHRIPK2
SCHEMBL4165879 0.76 RIPK2 (0.40) PTGS2XDHRIPK2KCNH2
SCHEMBL4173644 0.75 GRM1 (0.41) PTGS2XDHRIPK2
SCHEMBL4165895 0.75 XDH (0.38) XDH
SCHEMBL4164801 0.74 GRM1 (0.59)
SCHEMBL4158635 0.74 XDH (0.38) XDH

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-1999132-B1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2012-07-18 EP disclosed