SCHEMBL5147579

SCHEMBL5147579

COc1ccc2nccc(-n3cc4c(n3)CCC(NC(C(N)=O)c3cc(F)cc(F)c3)C4)c2c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
NCF1 P14598 1/20 0.37
KMT2A Q03164 1/20 0.35
SLC2A1 P11166 3/20 0.35
KCNH2 Q12809 3/20 0.35
LMNA P02545 1/20 0.34
MTNR1B P49286 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHRM4 P08173 1/20 0.33
DDR2 Q16832 1/20 0.33
IDO1 P14902 1/20 0.32
MC4R P32245 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
SCHEMBL3059284 0.82 SLC2A1 (0.44) NCF1SLC2A1KCNH2MTNR1BDDR2
SCHEMBL11948039 0.80 NCF1 (0.39) KDM4ENCF1KMT2AKCNH2MTNR1B
SCHEMBL3063850 0.79 NCF1 (0.41) KDM4ENCF1LMNAMTNR1BMAPK1
SCHEMBL11947994 0.78 SLC2A1 (0.47) NCF1SLC2A1KCNH2
SCHEMBL3059462 0.77 NCF1 (0.48) KDM4ENCF1KMT2AKCNH2LMNA
SCHEMBL11948021 0.76 NCF1 (0.40) KDM4ENCF1SLC2A1MTNR1BMAPK1
SCHEMBL11947997 0.76 POLB (0.46) KDM4ELMNANPSR1
SCHEMBL11948017 0.75 SLC2A1 (0.38) KDM4ENCF1SLC2A1
SCHEMBL11947996 0.75 L3MBTL1 (0.45) KDM4ENCF1SLC2A1MTNR1BMAPK1
SCHEMBL3072655 0.75 NCF1 (0.37) KDM4ENCF1KMT2AKCNH2MAPK1

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 claimed
WO-2006105289-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 WO claimed