SCHEMBL4352879

SCHEMBL4352879

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.65
SMN1; SMN2 Q16637 7/20 0.64
GAA P10253 4/20 0.64
TP53 P04637 3/20 0.64
PAX8 Q06710 1/20 0.64
PDE5A O76074 1/20 0.61
LMNA P02545 3/20 0.60
MC4R P32245 2/20 0.60
HTT P42858 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
MAPK1 P28482 1/20 0.60
CLK1 P49759 1/20 0.60
GSK3A P49840 1/20 0.60
GSK3B P49841 1/20 0.60
NPSR1 Q6W5P4 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
PTK2B Q14289 1/20 0.59
THRB P10828 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
SCHEMBL8884082 0.94 MAPT (0.72) MAPTSMN1; SMN2GAATP53PAX8
SCHEMBL8883779 0.94 MAPT (0.64) MAPTSMN1; SMN2GAATP53PAX8
SCHEMBL17439971 0.93 AURKB (0.64) MAPTSMN1; SMN2GAATP53PAX8
SCHEMBL4363819 0.92 AURKB (0.62) MAPTSMN1; SMN2TP53PDE5A
SCHEMBL8884319 0.91 MAPT (0.60) MAPTSMN1; SMN2GAATP53PAX8
SCHEMBL4749363 0.90 PAX8 (0.64) MAPTSMN1; SMN2GAATP53PAX8
SCHEMBL8885850 0.89 PDE5A (0.67) MAPTSMN1; SMN2GAATP53PAX8
SCHEMBL8883368 0.88 AURKB (0.66) MAPTSMN1; SMN2GAATP53PDE5A
SCHEMBL8883656 0.88 MAPT (0.65) MAPTGAATP53PDE5AHTT
SCHEMBL4356701 0.86 PDE5A (0.77) MAPTSMN1; SMN2GAATP53PDE5A

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
WO-2009070328-A1 MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-04 WO disclosed
US-5650415-A INHIBITORS OF CELL PROLIFERATION/DIFFERENTIATION, ANTITUMOR, ANTICANCER, TREATMENT OF FIBROTIC DISORDERS, BLOOD VESSEL PROLIFERATION SUGEN, INC. (US) 1997-07-22 US disclosed