SCHEMBL14830455

SCHEMBL14830455

O=C(NCc1ccccc1)Oc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.53
PTGS2 P35354 3/20 0.51
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM1A O60341 1/20 0.44
MGLL Q99685 1/20 0.43

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
SCHEMBL25207144 0.81 GAA (0.56) F10PTGS2USP2KMT2A
SCHEMBL1675835 0.77 F10 (0.50) F10PTGS2USP2
SCHEMBL19086546 0.77 F10 (0.54) F10PTGS2KMT2AKDM1A
SCHEMBL17552096 0.76 NPC1 (0.69) NPC1RAB9AHTTKMT2AMGLL
SCHEMBL28408781 0.76 F10 (0.50) F10PTGS2
SCHEMBL2178470 0.76 F10 (0.73) F10PTGS2NPC1RAB9APOLB
SCHEMBL10132893 0.73 ABL1 (0.55) NPC1RAB9AUSP2HTTPOLB
SCHEMBL198132 0.73 PTGS2 (0.57) F10PTGS2NPC1RAB9AMEN1
SCHEMBL5108159 0.73 NPC1 (0.69) NPC1RAB9AHTTKMT2AMGLL
SCHEMBL27627184 0.73 KMT2A (0.48) F10PTGS2KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013046211-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-N-({(5S)-2-OXO-3-[4-(3-OXO-4-MORPHOLINYL) PHENYL]-1,3-OXAZOLIDIN-5-YL}METHYL)-2-THIOPHENE-CARBOXAMIDE AND INTERMEDIATES THEREOF SYMED LABS LIMITED (IN) 2013-04-04 WO disclosed