SCHEMBL2913996

SCHEMBL2913996

CC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(C(=O)Nc2ccccc2S(N)(=O)=O)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.43
CA2 P00918 7/20 0.43
KDM4E B2RXH2 8/20 0.41
USP2 O75604 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.38
HTT P42858 5/20 0.38
LMNA P02545 4/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CFTR P13569 2/20 0.38
GAA P10253 1/20 0.38
CA9 Q16790 2/20 0.38
MAPK1 P28482 1/20 0.38
UBE2N P61088 1/20 0.38
HBB P68871 1/20 0.38
CA12 O43570 1/20 0.37
TNF P01375 1/20 0.37

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
SCHEMBL2910291 0.92 CNR2 (0.38) KDM4ERAB9AKMT2AMEN1HTT
SCHEMBL2908364 0.89 CA2 (0.41) CA1CA2KDM4EUSP2NPC1
SCHEMBL2912963 0.84 ALDH1A1 (0.42) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL2913200 0.81 KDM4E (0.40) KDM4EUSP2KMT2AMEN1HTT
SCHEMBL1530379 0.80 CA1 (0.43) CA1CA2KDM4EUSP2NPC1
SCHEMBL2910190 0.80 GPR27 (0.42) KMT2AMEN1
SCHEMBL2913166 0.80 XDH (0.38) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL2913446 0.79 ALDH1A1 (0.36) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL2913374 0.78 BCL2L1 (0.36) CA1CA2ALDH1A1CFTRCA9
SCHEMBL2907837 0.78 KDM4E (0.41) KDM4ENPC1RAB9AKMT2AMEN1

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