SCHEMBL4841726

SCHEMBL4841726

NC(CS(N)(=O)=O)Nc1nc(Oc2ccc(F)cc2)nc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 2/20 0.36
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
MAOA P21397 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL4842636 0.85 DGAT2 (0.33) DGAT2PTGS2PTGS1L3MBTL1
SCHEMBL4841715 0.81 DGAT2 (0.32) DGAT2PTGS2PTGS1L3MBTL1
SCHEMBL4841759 0.80 PTGS2 (0.34) DGAT2PTGS2PTGS1L3MBTL1
SCHEMBL4842631 0.78 L3MBTL1 (0.34) DGAT2PTGS2L3MBTL1LMNA
SCHEMBL4833086 0.77 SCN9A (0.34) DGAT2MAOALMNA
SCHEMBL14018946 0.77 SCN9A (0.34) DGAT2MAOALMNA
SCHEMBL4837740 0.76 SCN9A (0.36) DGAT2MAOALMNA
SCHEMBL4840924 0.73 MAPK14 (0.49) DGAT2PTGS2
SCHEMBL14018955 0.71 MAPK14 (0.44) PTGS2
SCHEMBL4832594 0.71 MAPK14 (0.42)

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-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed