SCHEMBL7780246

SCHEMBL7780246

COC(=O)C(C)(C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CES2 O00748 1/20 0.49
MAPT P10636 5/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
P2RX1 P51575 1/20 0.46
TP53 P04637 1/20 0.46
KCNN4 O15554 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
XBP1 P17861 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.44
CFTR P13569 1/20 0.44

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
SCHEMBL31560866 1.00 NPSR1 (0.50) NPSR1SMN1; SMN2CES2MAPTGAA
SCHEMBL4030734 0.85 CES2 (0.47) CES2MAPTGAAALDH1A1LMNA
SCHEMBL2246412 0.85 NPSR1 (0.49) NPSR1SMN1; SMN2CES2MAPTGAA
SCHEMBL6472732 0.85 KIF11 (0.51) CNR1CNR2
SCHEMBL5790943 0.85 KIF11 (0.55) NPSR1SMN1; SMN2CNR1CNR2
SCHEMBL20761764 0.83 SMN1; SMN2 (0.48) NPSR1SMN1; SMN2CES2MAPTGAA
SCHEMBL29149898 0.83 KCNN4 (0.50) SMN1; SMN2CES2MAPTALDH1A1LMNA
SCHEMBL30680657 0.83 KCNN4 (0.50) SMN1; SMN2CES2MAPTALDH1A1LMNA
SCHEMBL3169019 0.83 MAPT (0.54) NPSR1SMN1; SMN2CES2MAPTGAA
SCHEMBL10292299 0.83 CNR1 (0.47) NPSR1SMN1; SMN2MAPTGAAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972770-B1 Acaricidal and insecticidal substituted pyrimidines and a process for the preparation thereof BASF AG (DE) 2001-09-19 EP disclosed
US-6281219-B1 4,6-BIS-ARYL-PYRIMIDINES WHEREIN THE AROMATIC GROUPS ARE ATTACHED VIA TWO LINKING GROUPS WHICH ARE DIFFERENT FROM ONE ANOTHER. AMERICAN CYANAMID CO. 2001-08-28 US disclosed
EP-0972770-A1 Acaricidal and insecticidal substituted pyrimidines and a process for the preparation thereof American Cyanamid Company (US) 2000-01-19 EP disclosed