SCHEMBL8324993

SCHEMBL8324993

O=C(CCS(=O)(=O)O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.59
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
PTGS2 P35354 2/20 0.46
P2RX4 Q99571 1/20 0.46

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
SCHEMBL1381539 0.91 F10 (0.59) F10ALDH1A1KMT2APTGS2
SCHEMBL1379173 0.86 F10 (0.57) F10ALDH1A1KMT2A
SCHEMBL1380646 0.84 F10 (0.62) F10PTGS2
SCHEMBL1383122 0.83 F10 (0.60) F10PTGS2P2RX4
SCHEMBL1382884 0.83 F10 (0.55) F10ALDH1A1
SCHEMBL6181035 0.82 F10 (0.60) F10ALDH1A1KMT2A
SCHEMBL1379341 0.82 F10 (0.55) F10P2RX4
SCHEMBL1679321 0.82 F10 (0.65) F10PTGS2
SCHEMBL6179994 0.81 F10 (0.59) F10PTGS2
SCHEMBL1380603 0.81 F10 (0.59) F10ALDH1A1PTGS2

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-2004065369-A1 CARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2004-08-05 WO disclosed