SCHEMBL2913419

SCHEMBL2913419

CC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(C(=O)Nc2nccs2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.42
RAB9A P51151 6/20 0.39
ALDH1A1 P00352 6/20 0.39
NPC1 O15118 5/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
XBP1 P17861 1/20 0.39
ALOX12 P18054 1/20 0.39
KLF5 Q13887 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 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
SCHEMBL2912963 0.81 ALDH1A1 (0.42) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL1530647 0.80 ALDH1A1 (0.42) ADORA2ARAB9AALDH1A1NPC1MEN1
SCHEMBL2907963 0.78 GLRA3 (0.38) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL2913556 0.78 NPC1 (0.46) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL2912406 0.78 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2913166 0.77 XDH (0.38) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL2910291 0.76 CNR2 (0.38) RAB9AALDH1A1MEN1KMT2AKDM4E
SCHEMBL2908073 0.76 NR1H4 (0.47) MEN1KMT2ATP53L3MBTL1
SCHEMBL2913996 0.75 CA1 (0.43) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL2906969 0.75 ALDH1A1 (0.36) RAB9AALDH1A1NPC1MEN1KMT2A

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