SCHEMBL2915751

SCHEMBL2915751

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.34
KIF18A Q8NI77 14/20 0.34
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
BCL2 P10415 1/20 0.32
SCARB1 Q8WTV0 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2913787 0.92 KIF18A (0.39) NR1H4KIF18AMAPTHSD17B10TSHR
SCHEMBL2909532 0.89 NR1H4 (0.39) NR1H4KIF18AMAPTHSD17B10TSHR
SCHEMBL2915115 0.86 BCL2 (0.37) NR1H4MAPTHSD17B10TSHRBCL2
SCHEMBL2913182 0.86 NR1H4 (0.36) NR1H4KIF18AMAPTHSD17B10TSHR
SCHEMBL2915249 0.84 ITGA4 (0.39) MAPTHSD17B10TSHRSCARB1KDM4E
SCHEMBL1530341 0.84 AURKB (0.40) NR1H4KIF18AMAPTHSD17B10TSHR
SCHEMBL2907824 0.82 MAPT (0.39) NR1H4KIF18AMAPTHSD17B10TSHR
SCHEMBL2907495 0.82 NR1H4 (0.36) NR1H4MAPTHSD17B10TSHRBCL2
SCHEMBL2915481 0.82 NR1H4 (0.41) NR1H4MAPTHSD17B10TSHRBCL2
SCHEMBL2913600 0.82 NR1H4 (0.40) NR1H4MAPTHSD17B10TSHRKDM4E

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