SCHEMBL2915428

SCHEMBL2915428

CC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 4/20 0.40
MAPK10 P53779 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NAMPT P43490 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
F10 P00742 1/20 0.36
MAPK1 P28482 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
ADRB1 P08588 2/20 0.36

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
SCHEMBL2910562 0.89 HPGD (0.41) RAB9ANPC1SMN1; SMN2NPSR1HPGD
SCHEMBL2916211 0.86 KDM4E (0.36) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL2907837 0.86 KDM4E (0.41) RAB9ANPC1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL2913166 0.85 XDH (0.38) RAB9ANPC1SMN1; SMN2NPSR1HPGD
SCHEMBL2915282 0.83 MAPT (0.48) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL2912524 0.83 RAB9A (0.44) RAB9ANPC1SMN1; SMN2NPSR1HPGD
SCHEMBL2914837 0.81 KMT2A (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL1530600 0.80 AURKB (0.41) RAB9ANPC1SMN1; SMN2NPSR1HPGD
SCHEMBL2916119 0.80 ALOX12 (0.37) EPHX2NR1H4TRPV1ADRB1
SCHEMBL2909890 0.80 CA1 (0.42) RAB9ANPC1SMN1; SMN2NPSR1HPGD

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-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed