SCHEMBL3134274

SCHEMBL3134274

COc1cc(N=C(S)N(C)C(=O)c2ccc(F)cc2)ccc1-c1cc2ccccc2oc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
TP53 P04637 3/20 0.48
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 6/20 0.45
LMNA P02545 4/20 0.45
THRB P10828 1/20 0.44
HPGD P15428 5/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
NOD2 Q9HC29 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MIF P14174 1/20 0.42
MAOB P27338 2/20 0.41

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
SCHEMBL3134271 1.00 MAPT (0.48) MAPTTP53KDM4EALDH1A1LMNA
SCHEMBL3135544 0.88 MAPT (0.47) MAPTTP53KDM4EALDH1A1LMNA
SCHEMBL3131529 0.88 MAPT (0.47) MAPTTP53KDM4EALDH1A1LMNA
SCHEMBL3121860 0.78 KDM4E (0.40) MAPTKDM4EALDH1A1LMNATHRB
SCHEMBL3121855 0.78 KDM4E (0.40) MAPTKDM4EALDH1A1LMNATHRB
SCHEMBL3133871 0.77 MAPT (0.60) MAPTTP53KDM4EALDH1A1LMNA
SCHEMBL3135512 0.72 IMPDH2 (0.60) MAPTKDM4EALDH1A1LMNATHRB
SCHEMBL3134040 0.72 MAPT (0.64) MAPTTP53KDM4EALDH1A1LMNA
SCHEMBL3133866 0.70 ALDH1A1 (0.67) MAPTTP53KDM4EALDH1A1LMNA
SCHEMBL6686813 0.70 MIF (0.72) MAPTTP53KDM4EALDH1A1LMNA

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-2021333-B1 ANTI-PROLIFERATIVE COMPOUNDS DERIVING FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS ETHICAL ONCOLOGY SCIENCE S (IT) 2010-07-14 EP claimed