SCHEMBL6120692

SCHEMBL6120692

COc1ccc(CCS(=O)(=O)Nc2cn3nc(-c4ccc(F)cc4)c(C(=O)O)c3cc2C2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.37
MMP8 P22894 2/20 0.36
MMP12 P39900 2/20 0.36
MMP13 P45452 2/20 0.36
ACHE P22303 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 2/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
ANO1 Q5XXA6 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
BRAF P15056 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL6120796 0.93 CSNK1D (0.39) MMP8MMP12MMP13ACHERAB9A
SCHEMBL6121072 0.92 MAPT (0.36) MMP8MMP12MMP13ACHERAB9A
SCHEMBL6121218 0.92 MAPT (0.37) MMP8MMP12MMP13MAPT
SCHEMBL6120362 0.91 MAPK8 (0.39) ACHERAB9AMAPTCNR1CNR2
SCHEMBL6121002 0.86 BRAF (0.34) BRAF
SCHEMBL6120612 0.85 MAPT (0.38) MMP8MMP12MMP13MAPT
SCHEMBL6120998 0.84 ACLY (0.43) TP53MAPTBRAFLMNA
SCHEMBL6121996 0.84 JAK2 (0.32) BRAF
SCHEMBL2994080 0.84 BRAF (0.38) BRAF
SCHEMBL6120296 0.84 MAPK8 (0.39) ACHEMAPTLMNA

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
WO-2012067664-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 WO disclosed