SCHEMBL4638241

SCHEMBL4638241

CCCCCc1c(F)ccc(N)c1OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.43
SKP2 Q13309 1/20 0.37
HTR2A P28223 1/20 0.36
TLR8 Q9NR97 4/20 0.35
SLC2A1 P11166 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGS2 P35354 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
GCGR P47871 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
SCHEMBL14165580 0.85 ALOX5 (0.46) ALOX5SKP2HTR2ASLC2A1ALDH1A1
SCHEMBL1170745 0.80 SKP2 (0.41) SKP2HTR2ATLR8GCGR
SCHEMBL8014993 0.76 PPARA (0.41) ALOX5ALDH1A1MAPT
SCHEMBL28104171 0.74 ALOX5 (0.42) ALOX5SKP2HTR2ASLC2A1ALDH1A1
SCHEMBL24180080 0.73 HMGCR (0.37) ALOX5HTR2AALDH1A1
SCHEMBL45792 0.72 SKP2 (0.50) SKP2HTR2ATLR8ALDH1A1MAPT
SCHEMBL3883594 0.72 ALDH1A1 (0.37) ALOX5ALDH1A1CCNB2CDK1CCNB1
SCHEMBL23829848 0.70 ALDH1A1 (0.37) ALDH1A1MAPTTHRBTDP1PTGS2
SCHEMBL9516123 0.70 SKP2 (0.48) SKP2HTR2ATLR8ALDH1A1MAPT
SCHEMBL294503 0.70 SKP2 (0.48) SKP2HTR2ATLR8ALDH1A1MAPT

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-1888063-A1 ANTIFUNGAL AGENTS F2G Ltd. (GB) 2008-02-20 EP disclosed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 WO disclosed