SCHEMBL2910962

SCHEMBL2910962

CN(c1ccc(NC(=O)c2cc(N3C(=O)CCNC3=O)cc(C(C)(C)C)c2O)cc1)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 8/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 1/20 0.38
GALR3 O60755 1/20 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
SCHEMBL2913446 0.89 ALDH1A1 (0.36) RAB9ANPC1SMN1; SMN2L3MBTL1POLB
SCHEMBL2913166 0.88 XDH (0.38) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2910683 0.85 ALDH1A1 (0.36) RAB9AL3MBTL1ALDH1A1LMNATSHR
SCHEMBL2912963 0.84 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2910190 0.82 GPR27 (0.42) MEN1KMT2A
SCHEMBL2913374 0.82 BCL2L1 (0.36) L3MBTL1ALDH1A1
SCHEMBL2908073 0.81 NR1H4 (0.47) L3MBTL1MEN1KMT2ATP53
SCHEMBL2907832 0.81 BCL2L1 (0.34) L3MBTL1POLB
SCHEMBL2913154 0.81 BCL2L1 (0.35) RAB9AL3MBTL1POLBALDH1A1KDM4E
SCHEMBL2915358 0.81 ACLY (0.32) NPC1ALDH1A1LMNANPSR1TP53

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