SCHEMBL7472455

SCHEMBL7472455

S=C(COc1[c]cccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.30

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
SCHEMBL6491544 0.79 TDP1 (0.49) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL902241 0.77 ALOX15 (0.53) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL8894450 0.75 ALDH1A1 (0.30) ALDH1A1MAPTHPGDKMT2A
SCHEMBL1803317 0.71 KDM4E (0.46) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL11850746 0.71 KMT2A (0.39) ALDH1A1HPGDKMT2AL3MBTL1POLB
SCHEMBL1985491 0.71 GPR174 (0.40) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL584941 0.71
SCHEMBL6238419 0.71 JAK2 (0.33) ALDH1A1GAAMAPTHPGD
SCHEMBL7476929 0.70 HPGD (0.44) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL9695964 0.69 PTGDR2 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP disclosed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed