SCHEMBL5026581

SCHEMBL5026581

O=C(ONC1=NC(c2cccc(Br)c2)(C(F)(F)F)Cc2ccccc21)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BACE1 P56817 1/20 0.33
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
ORAI1 Q96D31 1/20 0.31
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP2C9 P11712 1/20 0.30
TP53 P04637 1/20 0.30
PDK2 Q15119 1/20 0.30
CYP3A4 P08684 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
SCHEMBL5024194 0.88 CYP1A2 (0.33) GAASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL5030034 0.87 HCAR3 (0.35) MAPTGAASMN1; SMN2UTS2RMEN1
SCHEMBL5028464 0.83 LMNA (0.40) SMN1; SMN2MEN1KMT2ABACE1CYP1A2
Trifluoroacetic Acid SCHEMBL5007666 0.78 BACE1 (0.36) MAPTGAASMN1; SMN2UTS2RMEN1
SCHEMBL5026434 0.77 BACE1 (0.41) MAPTUTS2RMEN1KMT2ABACE1
SCHEMBL8234440 0.76 UTS2R (0.38) MAPTGAASMN1; SMN2UTS2RBACE1
SCHEMBL5025605 0.75 MAPT (0.36) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL5030127 0.74 BACE1 (0.36) GAAUTS2RKMT2ABACE1CYP1A2
SCHEMBL2086622 0.73 BACE1 (0.39) BACE1PDK2
SCHEMBL5024092 0.71 NOS3 (0.41) MAPTGAASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957462-A2 NOVEL 2-AMINO-HETEROCYCLES UDEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES Astra Zeneca AB (SE) 2008-08-20 EP disclosed
WO-2007058583-A2 NOVEL 2-AMINO-HETEROCYCLES USEFUL IN THE TREATMENT OF ABETA-RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-05-24 WO disclosed