SCHEMBL2909890

SCHEMBL2909890

CC(C)(C)c1cc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc(N2C(=O)CCNC2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 4/20 0.42
NPSR1 Q6W5P4 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL2912524 0.91 RAB9A (0.44) HDAC3HDAC6MEN1KMT2AALDH1A1
SCHEMBL2912906 0.81 CYP3A4 (0.39) TRPV1EPHX2NR1H4
SCHEMBL2913166 0.81 XDH (0.38) MEN1KMT2AALDH1A1NPSR1RAB9A
SCHEMBL2910649 0.80 TDP2 (0.33) ALDH1A1TRPV1EPHX2NR1H4
SCHEMBL2908324 0.80 TRPV1 (0.39) ALDH1A1SMN1; SMN2HPGDTRPV1LMNA
SCHEMBL2915428 0.80 RAB9A (0.40) MEN1KMT2AALDH1A1NPSR1RAB9A
SCHEMBL1530649 0.79 AURKB (0.51) CA1CA2HDAC3HDAC6MEN1
SCHEMBL2910562 0.78 HPGD (0.41) MEN1KMT2AALDH1A1NPSR1RAB9A
SCHEMBL2917131 0.77 NSD2 (0.39) CA1CA9MEN1KMT2AALDH1A1
SCHEMBL2907804 0.76 XDH (0.39) CA1CA2CA9MEN1KMT2A

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