SCHEMBL4745781

SCHEMBL4745781

CC(=O)c1ccccc1-c1cc(F)cc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 4/20 0.51
ALOX5AP P20292 1/20 0.48
FEN1 P39748 1/20 0.48
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CHEK1 O14757 1/20 0.47
KDM4C Q9H3R0 1/20 0.46
HTT P42858 1/20 0.45
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40

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
SCHEMBL11781294 0.86 KDM4C (0.53) CTSAALOX5APFEN1SLC6A4SLC6A3
SCHEMBL1515901 0.86 HTT (0.57) CTSAALOX5APFEN1SLC6A4SLC6A3
SCHEMBL29466481 0.86 HTT (0.57) CTSAALOX5APFEN1SLC6A4SLC6A3
SCHEMBL14610404 0.84 ALOX5AP (0.53) CTSAALOX5APFEN1SLC6A4SLC6A3
SCHEMBL3905291 0.83 SLC6A3 (0.67) ALOX5APFEN1SLC6A4SLC6A3CHEK1
SCHEMBL29466501 0.83 SLC6A3 (0.67) ALOX5APFEN1SLC6A4SLC6A3CHEK1
SCHEMBL17796931 0.83 ALDH1A1 (0.48) SLC6A4SLC6A3HTTMAPTSMN1; SMN2
SCHEMBL3236362 0.81 BCAT2 (0.63) CTSAALOX5APFEN1SLC6A4SLC6A3
SCHEMBL1515697 0.79 ALOX5AP (0.59) CTSAALOX5APFEN1SLC6A4SLC6A3
SCHEMBL30955031 0.78 BCAT2 (0.57) SLC6A4SLC6A3CHEK1KDM4CHTT

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
WO-2008123821-A1 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS ALBIREO AB (SE) 2008-10-16 WO disclosed