SCHEMBL4746796

SCHEMBL4746796

CCOC(=O)c1cnc2ccc(C(=O)NCCCl)cc2c1Nc1ccc(C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.64
MAPT P10636 11/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
GAA P10253 5/20 0.61
TP53 P04637 4/20 0.61
LMNA P02545 3/20 0.58
MC4R P32245 2/20 0.58
HTT P42858 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPK1 P28482 2/20 0.58
CLK1 P49759 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PTK2B Q14289 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CREBBP Q92793 1/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL4750541 0.92 PAX8 (0.65) PAX8MAPTSMN1; SMN2GAATP53
SCHEMBL3656790 0.88 PAX8 (0.69) PAX8MAPTSMN1; SMN2GAATP53
SCHEMBL4749024 0.86 PAX8 (0.67) PAX8MAPTSMN1; SMN2GAATP53
SCHEMBL5332873 0.85 PAX8 (0.85) PAX8MAPTSMN1; SMN2GAATP53
SCHEMBL4749735 0.85 PAX8 (0.81) PAX8MAPTSMN1; SMN2GAATP53
SCHEMBL4750019 0.84 PAX8 (0.65) PAX8MAPTSMN1; SMN2GAATP53
SCHEMBL4747226 0.82 PAX8 (0.70) PAX8MAPTSMN1; SMN2GAATP53
SCHEMBL4746799 0.82 MAPT (0.67) PAX8MAPTSMN1; SMN2GAATP53
SCHEMBL3790489 0.82 MAPT (0.71) PAX8MAPTSMN1; SMN2GAATP53
SCHEMBL4750544 0.81 MAPT (0.68) PAX8MAPTSMN1; SMN2GAATP53

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-2008119771-A2 QUINOLINE-S-CARBOXYLIC ACID DERIVATIVES AS TYROSINE KINASE INHIBITORS CLANOTECH AB (SE) 2008-10-09 WO disclosed