SCHEMBL2915031

SCHEMBL2915031

COc1c(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc(N2C(=O)CCNC2=O)cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.35
ITGA4 P13612 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCL2 P10415 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35

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
SCHEMBL2910693 0.87 MAPT (0.40) MAPTHSD17B10TSHRALDH1A1KMT2A
SCHEMBL1530480 0.81 ALDH1A1 (0.49) MAPTHSD17B10TSHRALDH1A1KMT2A
SCHEMBL2915115 0.78 BCL2 (0.37) MAPTHSD17B10TSHRKMT2AMAPK1
SCHEMBL2907804 0.78 XDH (0.39) TSHRALDH1A1KMT2AMAPK1MEN1
SCHEMBL2913166 0.78 XDH (0.38) ALDH1A1KMT2AMAPK1MEN1KDM4E
SCHEMBL2915057 0.77 CRBN (0.39) MAPTHSD17B10TSHRALDH1A1KMT2A
SCHEMBL2907824 0.77 MAPT (0.39) MAPTHSD17B10TSHRALDH1A1KDM4E
SCHEMBL2913875 0.77 F10 (0.37) MAPTHSD17B10TSHRALDH1A1KMT2A
SCHEMBL2913182 0.77 NR1H4 (0.36) MAPTHSD17B10TSHRKMT2AMEN1
SCHEMBL2907766 0.77 KMT2A (0.41) MAPTALDH1A1KMT2AMAPK1MEN1

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