SCHEMBL2914837

SCHEMBL2914837

COc1cc(NS(C)(=O)=O)ccc1NC(=O)c1cc(N2C(=O)CCNC2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
S1PR1 P21453 1/20 0.39
KDM4E B2RXH2 3/20 0.37
HTT P42858 1/20 0.37
NR1H4 Q96RI1 1/20 0.35
CRBN Q96SW2 1/20 0.35
GRM4 Q14833 5/20 0.35
F10 P00742 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PLA2G7 Q13093 1/20 0.34

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
SCHEMBL2907766 0.92 KMT2A (0.41) KMT2AMEN1ALDH1A1MAPK1S1PR1
SCHEMBL2913166 0.87 XDH (0.38) KMT2AMEN1ALDH1A1MAPK1KDM4E
SCHEMBL2916517 0.86 MEN1 (0.41) KMT2AMEN1ALDH1A1MAPK1KDM4E
SCHEMBL2915057 0.85 CRBN (0.39) KMT2AMEN1ALDH1A1MAPK1KDM4E
SCHEMBL1530674 0.82 S1PR1 (0.41) KMT2AMEN1ALDH1A1MAPK1S1PR1
SCHEMBL2915428 0.81 RAB9A (0.40) KMT2AMEN1ALDH1A1MAPK1KDM4E
SCHEMBL2912681 0.80 CRBN (0.38) KMT2AMEN1ALDH1A1MAPK1NR1H4
SCHEMBL2910683 0.80 ALDH1A1 (0.36) ALDH1A1NR1H4F10RAB9AMAPT
SCHEMBL2910291 0.80 CNR2 (0.38) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL2915315 0.79 KIF18A (0.35) NR1H4F10POLB

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