SCHEMBL19787908

SCHEMBL19787908

Cc1ccc(Cn2cccc(C(=O)O)c2=O)cc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.50
MAPT P10636 3/20 0.49
LMNA P02545 1/20 0.49
BRD4 O60885 2/20 0.49
BRD2 P25440 1/20 0.49
BRD3 Q15059 1/20 0.49
BRDT Q58F21 1/20 0.49
PDPK1 O15530 2/20 0.48
HTT P42858 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
RAB9A P51151 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL2621619 0.88 SMN1; SMN2 (0.53) SMN1; SMN2MAPTLMNABRD4BRD2
SCHEMBL19787910 0.85 LMNA (0.49) SMN1; SMN2MAPTLMNABRD4PDPK1
SCHEMBL2621639 0.84 SMN1; SMN2 (0.54) SMN1; SMN2MAPTLMNABRD4BRD2
SCHEMBL13306596 0.82 SMN1; SMN2 (0.53) SMN1; SMN2MAPTBRD4BRD2BRD3
SCHEMBL2621620 0.82 CNR1 (0.60) SMN1; SMN2MAPTLMNABRD4BRD2
SCHEMBL19787909 0.81 MAPT (0.60) SMN1; SMN2MAPTLMNABRD4BRD2
SCHEMBL2621621 0.80 ALDH1A1 (0.59) SMN1; SMN2MAPTBRD4BRD2BRD3
SCHEMBL17477640 0.80 MAPT (0.63) SMN1; SMN2MAPTLMNABRD4BRD2
SCHEMBL4430754 0.80 SMN1; SMN2 (0.58) SMN1; SMN2MAPTLMNABRD4BRD2
SCHEMBL4986388 0.80 SMN1; SMN2 (0.54) SMN1; SMN2MAPTLMNABRD4BRD2

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
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed