SCHEMBL7775883

SCHEMBL7775883

CC(C)(c1cccc(C(F)(F)F)c1)c1cc(Oc2cccc(C(F)(F)F)c2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDR P35968 10/20 0.44
MAPK14 Q16539 9/20 0.44
TNNI3K Q59H18 9/20 0.44
BRAF P15056 8/20 0.44
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.41
RAF1 P04049 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
GAA P10253 1/20 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
SCHEMBL7776085 0.87 KDR (0.43) MAPTKDRMAPK14TNNI3KBRAF
SCHEMBL4244096 0.84 L3MBTL1 (0.57) MAPTALDH1A1POLBL3MBTL1KDR
SCHEMBL16202045 0.81 KDR (0.62) MAPTALDH1A1POLBL3MBTL1KDR
SCHEMBL12825474 0.81 KDR (0.62) MAPTALDH1A1POLBL3MBTL1KDR
SCHEMBL7780979 0.79 ALDH1A1 (0.52) MAPTALDH1A1POLBL3MBTL1KDR
SCHEMBL7783065 0.78 ALDH1A1 (0.54) MAPTALDH1A1POLBL3MBTL1KDR
SCHEMBL8773803 0.77 ALDH1A1 (0.53) MAPTALDH1A1POLBL3MBTL1KDR
Hydrochloric Acid SCHEMBL7776436 0.76 MAPT (0.48) MAPTALDH1A1POLBL3MBTL1KDR
SCHEMBL7780158 0.76 THRB (0.40) ALDH1A1POLBMAPK1
SCHEMBL8773158 0.75 MAPT (0.65) MAPTALDH1A1POLBL3MBTL1MAPK1

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 5 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 claimed
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 claimed
EP-0972770-A1 Acaricidal and insecticidal substituted pyrimidines and a process for the preparation thereof American Cyanamid Company (US) 2000-01-19 EP claimed
EP-0972770-B1 Acaricidal and insecticidal substituted pyrimidines and a process for the preparation thereof BASF AG (DE) 2001-09-19 EP 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