SCHEMBL5813659

SCHEMBL5813659

CCN(C)N=C1C=C(F)C(NC(=O)C(c2ccccc2)N(C(=O)Nc2ccccc2)c2ccc(Cl)cc2)=CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
GAA P10253 4/20 0.37
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPY5R Q15761 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MTOR P42345 1/20 0.32
KLK7 P49862 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
UTS2R Q9UKP6 1/20 0.31

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
SCHEMBL5813565 0.92 ALDH1A1 (0.39) ALDH1A1GAAMAPTSMN1; SMN2NPC1
SCHEMBL3570566 0.81 MAPT (0.41) ALDH1A1GAAMAPTSMN1; SMN2NPC1
SCHEMBL5818284 0.81 ALDH1A1 (0.35) ALDH1A1GAAMAPTSMN1; SMN2NPC1
SCHEMBL5813569 0.74 ALDH1A1 (0.39) ALDH1A1GAAMAPTSMN1; SMN2NPC1
SCHEMBL3564011 0.73 UTS2R (0.38) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL3563314 0.72 UTS2R (0.38) ALDH1A1MAPTUTS2R
SCHEMBL3557282 0.72 UTS2R (0.40) ALDH1A1MAPTSMN1; SMN2KDM4ENPY5R
SCHEMBL5813558 0.69 ALDH1A1 (0.37) ALDH1A1GAAMAPTSMN1; SMN2NPC1
SCHEMBL5819200 0.68 ALDH1A1 (0.56) ALDH1A1GAAMAPTSMN1; SMN2NPC1
SCHEMBL5818286 0.67 ALDH1A1 (0.37) ALDH1A1GAAMAPTSMN1; SMN2NPC1

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 claimed