SCHEMBL4379215

SCHEMBL4379215

O=c1[nH]cc(Cc2ccccc2CO)c(OCc2ccc(F)cc2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAOB P27338 1/20 0.35
LMNA P02545 1/20 0.35
DAO P14920 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
MAPK14 Q16539 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 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
SCHEMBL6652195 0.87 MAPK14 (0.38) MAPTKMT2AALDH1A1PKML3MBTL1
SCHEMBL6652310 0.82 MAPK14 (0.47) MAPTKMT2AL3MBTL1GAAMAOB
SCHEMBL6832447 0.80 FFAR1 (0.41) MAPTKMT2AALDH1A1L3MBTL1GAA
SCHEMBL6471640 0.79 DPYD (0.41) MAPTKMT2AALDH1A1L3MBTL1GAA
SCHEMBL6472836 0.76 NR4A1 (0.47) KMT2ASMN1; SMN2HDAC1HDAC6PTGER1
SCHEMBL6652475 0.76 DPYD (0.41) ALDH1A1SMN1; SMN2HDAC1HDAC6PTGER1
SCHEMBL6473794 0.75 SIRT2 (0.40) KMT2AALDH1A1SMN1; SMN2DPYD
SCHEMBL6472151 0.74 PARP10 (0.49) MAOBHDAC1HDAC6DPYD
SCHEMBL6472862 0.74 IMPDH2 (0.40) MAPTALDH1A1GAASMN1; SMN2MAOB
SCHEMBL6471088 0.73 THRA (0.45) ALDH1A1L3MBTL1SMN1; SMN2LMNAPTGER1

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
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed