SCHEMBL13635304

SCHEMBL13635304

C=C(OC)c1cccc(-n2c(C)cc(O)cc2=O)c1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MYC P01106 2/20 0.37
MAPK14 Q16539 1/20 0.35
JAK2 O60674 2/20 0.33
BTK Q06187 2/20 0.33
NOTUM Q6P988 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
TP53 P04637 1/20 0.31
NR4A1 P22736 1/20 0.31

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
SCHEMBL4376841 0.86 ALDH1A1 (0.60) POLBALDH1A1RAB9AL3MBTL1TDP1
SCHEMBL27765709 0.71 NOTUM (0.51) POLBALDH1A1RAB9AL3MBTL1NOTUM
SCHEMBL16332319 0.69 NOTUM (0.54) POLBALDH1A1RAB9ATDP1NOTUM
SCHEMBL4381208 0.67 ANPEP (0.45) POLBALDH1A1L3MBTL1TDP1MAPK14
SCHEMBL4377764 0.66 ALDH1A1 (0.52) POLBALDH1A1L3MBTL1TDP1MYC
SCHEMBL4379826 0.66 ALDH1A1 (0.60) POLBALDH1A1RAB9AL3MBTL1TDP1
SCHEMBL2706645 0.66 ALDH1A1 (0.60) POLBALDH1A1L3MBTL1TDP1NOTUM
SCHEMBL4387429 0.66 ALDH1A1 (0.47) ALDH1A1RAB9AL3MBTL1TDP1MYC
SCHEMBL24759727 0.65 POLB (0.37) POLBALDH1A1LMNA
SCHEMBL4389760 0.65 APLNR (0.54) POLBALDH1A1L3MBTL1MAPK14TSHR

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