SCHEMBL5149242

SCHEMBL5149242

COc1ccc2nccc(-n3nc4c(c3C(N)=O)CC(c3cccc5sc(C(=O)O)c(F)c35)CC4)c2c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 4/20 0.37
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
NCF1 P14598 1/20 0.34
KCNH2 Q12809 2/20 0.33
CCR8 P51685 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3072007 0.72 KDM4E (0.48) KDM4EKMT2ALMNANCF1MAPK1
SCHEMBL3070822 0.69 KDM4E (0.48) KDM4EKMT2ALMNANCF1MAPK1
SCHEMBL11947996 0.62 L3MBTL1 (0.45) KDM4ENCF1MAPK1
SCHEMBL3059495 0.61 KDM4E (0.48) KDM4EKMT2ALMNANCF1MAPK1
SCHEMBL3059462 0.58 NCF1 (0.48) KDM4EKMT2ALMNANCF1KCNH2
SCHEMBL27595365 0.58 KDM4E (0.49) KDM4EKMT2ALMNANCF1KCNH2
SCHEMBL1223373 0.57 NCF1 (0.64) KDM4EKMT2ALMNANCF1KCNH2
SCHEMBL23112084 0.57 STING1 (0.72) STING1
SCHEMBL4600323 0.57 KDM4E (1.00) KDM4ELMNAMAPK1NPSR1
SCHEMBL3066905 0.56 NCF1 (0.48) KDM4EKMT2ALMNANCF1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863483-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS Janssen Pharmaceutica, N.V. (BE) 2007-12-12 EP disclosed
WO-2006105289-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 WO disclosed