SCHEMBL2907837

SCHEMBL2907837

CC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(NC(=O)c2ccccc2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 5/20 0.40
POLB P06746 3/20 0.38
KCNK9 Q9NPC2 1/20 0.38
LMNA P02545 1/20 0.38
ACHE P22303 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PLA2G1B P04054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 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
SCHEMBL2916211 0.90 KDM4E (0.36) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL2910630 0.87 MEN1 (0.46) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL2915282 0.87 MAPT (0.48) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL2915428 0.86 RAB9A (0.40) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL2912963 0.82 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KCNK9LMNA
SCHEMBL2910291 0.79 CNR2 (0.38) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL2913996 0.78 CA1 (0.43) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL1530854 0.78 DDB1 (0.45) KDM4EHTTALDH1A1POLBPLA2G1B
SCHEMBL2907963 0.77 GLRA3 (0.38) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL3107879 0.75 MAPT (0.52) KDM4EMEN1KMT2AHTTALDH1A1

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