SCHEMBL4688958

SCHEMBL4688958

COc1ccccc1C=C(NC(=O)c1ccccn1)C(=O)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
KDM4E B2RXH2 4/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 2/20 0.46
GRM4 Q14833 2/20 0.43
HTR1A P08908 1/20 0.43
ADRA1A P35348 1/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
KLF5 Q13887 1/20 0.42
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL4688953 1.00 SMN1; SMN2 (0.49) SMN1; SMN2KDM4ENPC1RAB9AL3MBTL1
SCHEMBL4692406 0.82 SMN1; SMN2 (0.60) SMN1; SMN2KDM4ENPC1RAB9AL3MBTL1
SCHEMBL4687303 0.82 SMN1; SMN2 (0.57) SMN1; SMN2KDM4ENPC1RAB9AL3MBTL1
SCHEMBL4692407 0.82 SMN1; SMN2 (0.60) SMN1; SMN2KDM4ENPC1RAB9AL3MBTL1
SCHEMBL4687309 0.82 SMN1; SMN2 (0.57) SMN1; SMN2KDM4ENPC1RAB9AL3MBTL1
SCHEMBL4688198 0.79 MAPT (0.55) SMN1; SMN2KDM4ERAB9AL3MBTL1MAPT
SCHEMBL4688204 0.79 MAPT (0.55) SMN1; SMN2KDM4ERAB9AL3MBTL1MAPT
SCHEMBL4690923 0.78 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EL3MBTL1HPGDKMT2A
SCHEMBL4744070 0.77 ALDH1A1 (0.43) SMN1; SMN2KDM4ENPC1RAB9AL3MBTL1
SCHEMBL4744066 0.77 ALDH1A1 (0.43) SMN1; SMN2KDM4ENPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581496-A4 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES INC (US) 2008-04-23 EP disclosed
EP-1581496-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2005-10-05 EP disclosed
WO-2004050613-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2004-06-17 WO disclosed