SCHEMBL5822984

SCHEMBL5822984

CN1CCN=C1c1ccc(NC(=O)C(NC(=O)N(c2ccccc2)c2ccc(F)cc2)c2cccs2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.34
CCR5 P51681 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FAAH O00519 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3569482 0.87 RAB9A (0.42) MAPTHTTTSHRKDM4EL3MBTL1
SCHEMBL5822982 0.83 MAPT (0.45) MAPTHPGDHTTTSHRCCR5
SCHEMBL3569479 0.79 MAPT (0.43) MAPTHPGDHTTTSHRKDM4E
SCHEMBL3566849 0.79 HTT (0.41) MAPTHTTTSHRLMNAPOLB
SCHEMBL3570709 0.79 HTT (0.42) MAPTHTTTSHRLMNATP53
SCHEMBL3573944 0.77 HTT (0.40) MAPTHTTTSHRTP53L3MBTL1
SCHEMBL3566847 0.71 MAPT (0.35) MAPTHTTTSHRKDM4ELMNA
SCHEMBL3570706 0.71 F10 (0.40) MAPTHTTKDM4ELMNATP53
SCHEMBL3561245 0.70 ROCK2 (0.41) MAPTKDM4EALDH1A1
SCHEMBL3573941 0.69 SMN1; SMN2 (0.34) MAPTHTTTSHRKDM4ELMNA

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-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed